Detailed information for compound 1216104

Basic information

Technical information
  • TDR Targets ID: 1216104
  • Name: tetramethyl 5',5',9'-trimethylspiro[1,3-dithi ole-2,1'-6H-thiopyrano[6,5-c]quinoline]-2',3' ,4,5-tetracarboxylate
  • MW: 563.663 | Formula: C25H25NO8S3
  • H donors: 1 H acceptors: 4 LogP: 3.76 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 2
  • SMILES: COC(=O)C1=C(SC2(S1)C(=C(SC1=C2c2cc(C)ccc2NC1(C)C)C(=O)OC)C(=O)OC)C(=O)OC
  • InChi: 1S/C25H25NO8S3/c1-11-8-9-13-12(10-11)14-19(24(2,3)26-13)35-16(21(28)32-5)15(20(27)31-4)25(14)36-17(22(29)33-6)18(37-25)23(30)34-7/h8-10,26H,1-7H3
  • InChiKey: YSEKLCDNLDWBCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 5',5',9'-trimethylspiro[1,3-dithiole-2,1'-6H-thiopyrano[6,5-c]quinoline]-2',3',4,5-tetracarboxylic acid tetramethyl ester
  • EU-0073362
  • MLS000529277
  • SMR000121752
  • AG-690/33251006
  • ZINC04045099
  • STK048341
  • ChemDiv1_022262
  • BAS 00126814

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens polo-like kinase 1 Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens tyrosyl-DNA phosphodiesterase 1 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) PLK/PLK1 protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense polo-like protein kinase,protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum Serine/threonine-protein kinase PLK1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Entamoeba histolytica serine/threonine protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania mexicana tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania braziliensis tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210 Get druggable targets OG5_129037 All targets in OG5_129037
Cryptosporidium hominis hypothetical protein Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania infantum tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trypanosoma brucei polo-like protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis transcription factor Dp 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K06631 polo-like kinase 1, putative Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania donovani tyrosyl-DNA phosphodiesterase-like protein Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania major protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Trypanosoma congolense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Cryptosporidium parvum tyrosyl-DNA phodphodiesterase 1 (tdp1) Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania major tyrosyl-DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 Get druggable targets OG5_129037 All targets in OG5_129037
Candida albicans protein serine/threonine kinase Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein Get druggable targets OG5_129037 All targets in OG5_129037
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Trypanosoma congolense protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Leishmania mexicana protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Onchocerca volvulus Serine\/threonine kinase homolog Get druggable targets OG5_127396 All targets in OG5_127396
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Giardia lamblia Kinase, PLK Get druggable targets OG5_127396 All targets in OG5_127396
Brugia malayi serine/threonine-protein kinase plk-2 Get druggable targets OG5_127396 All targets in OG5_127396
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma cruzi polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Echinococcus granulosus serine:threonine protein kinase PLK1 Get druggable targets OG5_127396 All targets in OG5_127396
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative Get druggable targets OG5_129037 All targets in OG5_129037
Leishmania braziliensis protein kinase, putative,polo-like protein kinase, putative Get druggable targets OG5_127396 All targets in OG5_127396
Trypanosoma brucei gambiense tyrosyl-DNA Phosphodiesterase (Tdp1), putative Get druggable targets OG5_129037 All targets in OG5_129037
Trichomonas vaginalis CAMK family protein kinase Get druggable targets OG5_127396 All targets in OG5_127396
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.0124 0.8062
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0015 0.0013
Mycobacterium tuberculosis Probable acetyl-hydrolase/esterase LipR 0.0312 0.0154 1
Trypanosoma brucei Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0312 0.0154 1
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0028 0.0026
Schistosoma mansoni hypothetical protein 0.0336 0.0168 0.0166
Loa Loa (eye worm) hypothetical protein 0.0037 0.0005 0.0003
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0005 0.0276
Mycobacterium tuberculosis Conserved protein 0.0037 0.0005 0.0323
Trypanosoma brucei polo-like protein kinase 0.0114 0.0047 0.303
Plasmodium falciparum importin beta, putative 0.0031 0.0002 1
Mycobacterium ulcerans membrane-bound esterase LipM 0.0312 0.0154 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.0438 0.0438
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0028 0.0027
Echinococcus granulosus transcription factor Dp 1 0.0046 0.001 0.0009
Trichomonas vaginalis set domain proteins, putative 0.0286 0.014 0.9096
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0005 0.0323
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0001 0.0048
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0005 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0039 0.0038
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0312 0.0154 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0005 0.0003
Schistosoma mansoni hypothetical protein 0.0336 0.0168 0.0166
Onchocerca volvulus 0.0037 0.0005 0.0048
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0239 0.0115 0.7432
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0074 0.0025 0.0023
Mycobacterium ulcerans hypothetical protein 0.0037 0.0005 0.0323
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0001 0.0048
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0002 0.0001
Mycobacterium ulcerans esterase LipW 0.0312 0.0154 1
Mycobacterium ulcerans carboxylesterase LipQ 0.0312 0.0154 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0005 0.0276
Echinococcus granulosus acetylcholinesterase 0.0074 0.0025 0.0024
Mycobacterium tuberculosis Probable lipase LipH 0.0312 0.0154 1
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0005 0.0276
Loa Loa (eye worm) acetylcholinesterase 1 0.0074 0.0025 0.0023
Loa Loa (eye worm) carboxylesterase 0.0074 0.0025 0.0023
Echinococcus multilocularis geminin 0.0336 0.0168 0.0167
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.0039 0.0038
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0062 0.0061
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0047 0.2996
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0028 0.0027
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0005 0.0323
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0005 0.0323
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0114 0.0047 0.0045
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0025 0.1592
Leishmania major hypothetical protein, conserved 0.0037 0.0005 0.0323
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.0039 0.0039
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0002 0.0107
Mycobacterium ulcerans hypothetical protein 0.003 0.0001 0.0048
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0025 0.0024
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.8395 1 1
Mycobacterium tuberculosis Putative acetyl hydrolase MbtJ 0.0312 0.0154 1
Mycobacterium ulcerans hypothetical protein 0.0312 0.0154 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0005 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0015 0.0014
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0114 0.0047 0.0046
Plasmodium vivax SET domain protein, putative 0.0036 0.0004 0.8547
Mycobacterium tuberculosis Conserved protein 0.0037 0.0005 0.0323
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.0438 0.0437
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0028 0.1778
Mycobacterium ulcerans lipase LipU 0.0312 0.0154 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0005 0.0003
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0047 0.2996
Echinococcus multilocularis hormone sensitive lipase 1.8395 1 1
Leishmania major hypothetical protein, conserved 0.0312 0.0154 1
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.0039 0.0039
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0114 0.0047 0.303
Brugia malayi beta-lactamase family protein 0.0037 0.0005 0.0218
Echinococcus multilocularis acetylcholinesterase 0.0074 0.0025 0.0024
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0312 0.0154 1
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0002 0.0024
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0028 0.1817
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0015 0.0014
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0002 0.0001
Echinococcus granulosus carboxylesterase 5A 0.0074 0.0025 0.0024
Echinococcus granulosus GPCR family 2 0.0032 0.0002 0.0001
Onchocerca volvulus 0.0286 0.014 0.9075
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0028 0.1778
Brugia malayi Carboxylesterase family protein 0.0074 0.0025 0.152
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0025 0.0023
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.001 0.0009
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0025 0.1592
Mycobacterium tuberculosis Probable carboxylesterase LipQ 0.0312 0.0154 1
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0028 0.5998
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0025 0.1592
Echinococcus granulosus acetylcholinesterase 0.0074 0.0025 0.0024
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0005 0.0276
Loa Loa (eye worm) hypothetical protein 0.0074 0.0025 0.0023
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0004 0.0003
Mycobacterium ulcerans lipase LipU 0.0312 0.0154 1
Schistosoma mansoni hypothetical protein 0.0069 0.0022 0.0021
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0002 0.0001
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0002 0.0107
Plasmodium vivax importin-beta 2, putative 0.0031 0.0002 0.3315
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0005 0.0003
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0005 0.0323
Loa Loa (eye worm) ammd protein 0.0312 0.0154 0.0153
Mycobacterium ulcerans esterase/lipase 0.0312 0.0154 1
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0047 0.2996
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0004 0.0004
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0002 0.0001
Mycobacterium ulcerans lipase LipH 0.0312 0.0154 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0114 0.0047 1
Loa Loa (eye worm) hypothetical protein 0.0127 0.0054 0.0052
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0005 0.0276
Mycobacterium tuberculosis Probable lipase/esterase LipN 0.0312 0.0154 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0114 0.0047 0.2954
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0025 0.1592
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0002 0.0001
Echinococcus granulosus snurportin 1 0.0334 0.0166 0.0166
Mycobacterium tuberculosis Possible esterase LipW 0.0312 0.0154 1
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0028 0.1817
Mycobacterium ulcerans acetyl hydrolase MbtJ 0.0312 0.0154 1
Mycobacterium ulcerans lipase LipI 0.0312 0.0154 1
Onchocerca volvulus 0.01 0.0039 0.2336
Mycobacterium leprae Possible lipase LipU 0.0312 0.0154 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0004 0.0003
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0001 0.0048
Loa Loa (eye worm) hypothetical protein 1.8395 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.0005 0.0323
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0002 0.0107
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0015 0.0953
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0047 0.2996
Trichomonas vaginalis Esterase, putative 0.0312 0.0154 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0004 0.0003
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0312 0.0154 0.0153
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0114 0.0047 0.0046
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0025 0.0024
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0005 0.0323
Mycobacterium tuberculosis Conserved protein 0.003 0.0001 0.0048
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0025 0.0023
Trypanosoma cruzi Isoprenylcysteine alpha-carbonyl methylesterase, putative 0.0312 0.0154 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0004 0.0004
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0015 0.0013
Loa Loa (eye worm) hypothetical protein 0.0101 0.004 0.0038
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0005 0.0323
Onchocerca volvulus Serine\/threonine kinase homolog 0.0114 0.0047 0.2832
Giardia lamblia Kinase, PLK 0.0114 0.0047 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.0124 0.8062
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0005 0.0218
Mycobacterium tuberculosis Probable non lipolytic carboxylesterase NlhH 0.0312 0.0154 1
Trichomonas vaginalis esterase, putative 0.0037 0.0005 0.0276
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.0005 0.0276
Mycobacterium ulcerans esterase LipO 0.0312 0.0154 1
Trypanosoma cruzi Alpha/beta hydrolase domain-containing protein 0.0312 0.0154 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0025 0.1592
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0015 0.0014
Trypanosoma cruzi polo-like protein kinase, putative 0.0114 0.0047 0.2996
Echinococcus multilocularis carboxylesterase 5A 0.0074 0.0025 0.0024
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0004 0.0003
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0015 0.0014
Toxoplasma gondii ABC1 family protein 0.0037 0.0005 0.0323
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0015 0.0855
Trichomonas vaginalis Esterase, putative 0.0312 0.0154 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0004 0.0003
Mycobacterium ulcerans hypothetical protein 0.003 0.0001 0.0048
Echinococcus granulosus geminin 0.0336 0.0168 0.0167
Brugia malayi aryl-acylamidase 0.0312 0.0154 1
Trichomonas vaginalis CAMK family protein kinase 0.0056 0.0015 0.0953
Mycobacterium tuberculosis Possible lipase LipU 0.0312 0.0154 1
Brugia malayi beta-lactamase 0.0037 0.0005 0.0218
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.8395 1 1
Trypanosoma cruzi serine peptidase, Clan SC, Family S9D 0.0312 0.0154 1
Schistosoma mansoni kinase 0.0058 0.0016 0.0015
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0028 0.0026
Mycobacterium ulcerans beta-lactamase 0.0037 0.0005 0.0323
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0005 0.0323
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.0039 0.2467
Mycobacterium tuberculosis Probable esterase LipC 0.0312 0.0154 1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0001 0.0048
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0005 0.0323
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0047 0.2996
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0025 0.1592
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0028 0.1729
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0002 0.0024
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.0438 0.0438
Onchocerca volvulus 0.0037 0.0005 0.0048
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0005 0.0004
Trichomonas vaginalis Esterase, putative 0.0312 0.0154 1
Mycobacterium ulcerans lipase/esterase LipN 0.0312 0.0154 1
Onchocerca volvulus 0.0037 0.0005 0.0048
Onchocerca volvulus Huntingtin homolog 0.0127 0.0054 0.3308
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0047 0.2996
Brugia malayi RNA, U transporter 1 0.0089 0.0033 0.2057
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0005 0.0323
Echinococcus multilocularis GPCR, family 2 0.0032 0.0002 0.0001
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0062 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.0312 0.0154 1
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0005 0.0323
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0015 0.0013
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0101 0.004 0.2485
Loa Loa (eye worm) hypothetical protein 0.0127 0.0054 0.0052
Mycobacterium tuberculosis Conserved protein 0.0037 0.0005 0.0323
Mycobacterium ulcerans esterase LipC 0.0312 0.0154 1
Loa Loa (eye worm) beta-lactamase 0.0037 0.0005 0.0003
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0047 0.2996
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0 0.5
Brugia malayi Pre-SET motif family protein 0.0251 0.0121 0.7852
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0005 0.0004
Echinococcus granulosus importin subunit beta 1 0.0031 0.0002 0.0001
Brugia malayi Pre-SET motif family protein 0.0036 0.0004 0.0171
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0334 0.0166 0.0165
Loa Loa (eye worm) hypothetical protein 0.0037 0.0005 0.0003
Leishmania major ecotin, putative 0.0312 0.0154 1
Mycobacterium tuberculosis Probable esterase LipO 0.0312 0.0154 1
Brugia malayi Carboxylesterase family protein 0.0074 0.0025 0.152
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.0005 0.0276
Mycobacterium tuberculosis Probable esterase/lipase LipF 0.0312 0.0154 1
Mycobacterium ulcerans lipase LipD 0.0037 0.0005 0.0323
Brugia malayi hypothetical protein 0.0127 0.0054 0.3422
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.0124 0.8071
Schistosoma mansoni hypothetical protein 0.0334 0.0166 0.0165
Schistosoma mansoni lipoxygenase 0.0142 0.0062 0.0061
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0001 0.0048
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0101 0.004 0.0038
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0004 0.0004
Onchocerca volvulus 0.0312 0.0154 1
Schistosoma mansoni lipoxygenase 0.01 0.0039 0.0037
Brugia malayi Calcitonin receptor-like protein seb-1 0.0101 0.004 0.2485
Loa Loa (eye worm) hypothetical protein 0.0074 0.0025 0.0023
Trichomonas vaginalis CAMK family protein kinase 0.0114 0.0047 0.2996
Treponema pallidum N-acetylphosphinothricin-tripetide-deacetylase 0.0312 0.0154 1
Onchocerca volvulus Huntingtin homolog 0.0127 0.0054 0.3308
Loa Loa (eye worm) aryl-acylamidase 0.0312 0.0154 0.0153
Schistosoma mansoni serine/threonine protein kinase 0.0114 0.0047 0.0045
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0005 0.0003
Toxoplasma gondii alpha/beta hydrolase fold domain-containing protein 0.0312 0.0154 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0015 0.0013
Loa Loa (eye worm) hypothetical protein 0.0037 0.0005 0.0003
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0005 0.0003
Mycobacterium tuberculosis Probable esterase LipM 0.0312 0.0154 1
Echinococcus multilocularis snurportin 1 0.0334 0.0166 0.0166
Loa Loa (eye worm) hypothetical protein 0.0069 0.0022 0.0021
Brugia malayi beta-lactamase family protein 0.0037 0.0005 0.0218
Echinococcus multilocularis acetylcholinesterase 0.0074 0.0025 0.0024
Loa Loa (eye worm) hypothetical protein 0.0036 0.0004 0.0003
Brugia malayi latrophilin 2 splice variant baaae 0.0069 0.0022 0.1346
Schistosoma mansoni hormone-sensitive lipase (S09 family) 1.8395 1 1
Leishmania major hypothetical protein, conserved 0.0257 0.0124 0.8071
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0121 0.012
Mycobacterium leprae Probable lipase LipE 0.0037 0.0005 0.0323
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0004 0.0276

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 1.7783 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 2.8184 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 2.8184 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.3587 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 10 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (binding) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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