Detailed information for compound 875304

Basic information

Technical information
  • TDR Targets ID: 875304
  • Name: N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2 -yl]propanamide
  • MW: 318.416 | Formula: C11H18N4O3S2
  • H donors: 1 H acceptors: 5 LogP: 1.03 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(=O)Nc1nnc(s1)S(=O)(=O)N1CCCCCC1
  • InChi: 1S/C11H18N4O3S2/c1-2-9(16)12-10-13-14-11(19-10)20(17,18)15-7-5-3-4-6-8-15/h2-8H2,1H3,(H,12,13,16)
  • InChiKey: JFIJMOGOKDPKFI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[5-(1-azepanylsulfonyl)-1,3,4-thiadiazol-2-yl]propanamide
  • N-[5-(azepan-1-ylsulfonyl)-1,3,4-thiadiazol-2-yl]propionamide
  • E157-2854
  • NCGC00120916-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens Rap guanine nucleotide exchange factor (GEF) 3 Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog Get druggable targets OG5_131726 All targets in OG5_131726
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
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
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131726 All targets in OG5_131726
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi N-terminal motif family protein Get druggable targets OG5_131726 All targets in OG5_131726
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
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
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium vivax SET domain protein, putative 0.0036 0.0256 0.1018
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0436 0.0687
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0246 0.0813
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0347 0.0399
Echinococcus multilocularis zinc finger protein 0.0024 0.0104 0.0093
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0148 0.0136
Loa Loa (eye worm) hypothetical protein 0.0037 0.0267 0.0888
Onchocerca volvulus 0.005 0.0424 0.0583
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0256 0.0244
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0491 0.0479
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Schistosoma mansoni zinc finger protein 0.0024 0.0104 0.0093
Onchocerca volvulus 0.0043 0.0347 0.033
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1225 0.1214
Onchocerca volvulus 0.0043 0.0347 0.033
Loa Loa (eye worm) hypothetical protein 0.0043 0.0347 0.1165
Onchocerca volvulus 0.0037 0.0267 0.007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0491 0.0479
Mycobacterium ulcerans two component transcriptional regulatory protein DevR 0.0636 0.7588 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0553 0.1882
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0347 0.0335
Mycobacterium tuberculosis Possible transcriptional regulatory protein 0.0636 0.7588 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0346 0.0334
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0218 0.248 0.7287
Brugia malayi Heterochromatin protein 1 0.0084 0.0844 0.2922
Toxoplasma gondii ABC1 family protein 0.0043 0.0347 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0491 0.0479
Brugia malayi jmjC domain containing protein 0.0115 0.1225 0.4242
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0935 0.0924
Echinococcus multilocularis peregrin 0.0038 0.0281 0.0269
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.0697 0.0685
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0347 0.0399
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.0508 0.0496
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0336 0.0325
Brugia malayi jmjC domain containing protein 0.0045 0.0364 0.1263
Trichomonas vaginalis set domain proteins, putative 0.0286 0.3311 1
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0067 0.0055
Loa Loa (eye worm) hypothetical protein 0.0035 0.0246 0.0813
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0067 0.0055
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0491 0.0479
Brugia malayi PHD-finger family protein 0.003 0.0183 0.0634
Brugia malayi Pre-SET motif family protein 0.0036 0.0256 0.0887
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0491 0.0479
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0347 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.005 0.0424 0.0413
Loa Loa (eye worm) hypothetical protein 0.0218 0.248 0.8584
Mycobacterium leprae PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN 0.0636 0.7588 1
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0347 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0256 0.1018
Mycobacterium ulcerans nitrate/nitrite response regulator protein NarL 0.0636 0.7588 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0347 0.0399
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0844 0.2008
Loa Loa (eye worm) hypothetical protein 0.0057 0.0508 0.1724
Loa Loa (eye worm) hypothetical protein 0.0052 0.0445 0.1506
Loa Loa (eye worm) hypothetical protein 0.0049 0.0417 0.1408
Mycobacterium tuberculosis Probable transcriptional regulatory protein (probably LuxR/UhpA-family) 0.0636 0.7588 1
Brugia malayi Bromodomain containing protein 0.0038 0.0281 0.0972
Loa Loa (eye worm) beta-lactamase 0.0043 0.0347 0.1165
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0347 0.0399
Trichomonas vaginalis esterase, putative 0.0043 0.0347 0.0399
Brugia malayi Bromodomain containing protein 0.0046 0.0381 0.1319
Loa Loa (eye worm) hypothetical protein 0.0043 0.0347 0.1165
Schistosoma mansoni hypothetical protein 0.0035 0.0246 0.0234
Mycobacterium tuberculosis Possible nitrate/nitrite response transcriptional regulatory protein NarL 0.0636 0.7588 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.024 0.0228
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0148 0.0136
Brugia malayi beta-lactamase 0.0043 0.0347 0.1201
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1225 0.1214
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.321 0.3954
Giardia lamblia PHD finger protein 15 0.0035 0.0246 0.5
Brugia malayi chromobox protein homolog 3 0.0047 0.0392 0.1357
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0508 0.0496
Plasmodium falciparum phd finger protein, putative 0.0035 0.0246 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.0347 0.1165
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0392 0.0477
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0246 0.0234
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0491 0.0479
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.0697 0.0685
Mycobacterium tuberculosis Probable transcriptional regulatory protein 0.0636 0.7588 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0346 0.0334
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0347 0.0399
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0364 0.0353
Echinococcus granulosus peregrin 0.0038 0.0281 0.0269
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0148 0.0136
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0844 0.2008
Mycobacterium ulcerans putative regulatory protein 0.0636 0.7588 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0491 0.1699
Echinococcus granulosus lysine specific demethylase 5A 0.0045 0.0364 0.0353
Brugia malayi N-terminal motif family protein 0.0218 0.248 0.8589
Schistosoma mansoni chromobox protein 0.0084 0.0844 0.0833
Loa Loa (eye worm) hypothetical protein 0.0047 0.0392 0.1321
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0347 0.0335
Brugia malayi CHD4 protein 0.0016 0.0012 0.0042
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0067 0.0055
Mycobacterium tuberculosis Probable transcriptional regulatory protein (LuxR-family) 0.0636 0.7588 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.0508 0.0496
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0392 0.0545
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0246 0.0234
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0392 0.0545
Mycobacterium ulcerans two component transcriptional regulator 0.0636 0.7588 1
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0076 0.0223
Loa Loa (eye worm) hypothetical protein 0.0046 0.0382 0.1286
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0347 0.1201
Onchocerca volvulus 0.0286 0.3311 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0436 0.0619
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0414 0.0403
Schistosoma mansoni jumonji/arid domain-containing protein 0.0045 0.0364 0.0353
Echinococcus granulosus chromobox protein 1 0.0084 0.0844 0.0833
Echinococcus multilocularis chromobox protein 1 0.0084 0.0844 0.0833
Loa Loa (eye worm) hypothetical protein 0.0043 0.0347 0.1165
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0347 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0347 0.0335
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0491 0.0479
Loa Loa (eye worm) jmjC domain-containing protein 0.0045 0.0364 0.1226
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0347 0.0335
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0844 0.2893
Brugia malayi PHD-finger family protein 0.0035 0.0246 0.0851
Echinococcus granulosus zinc finger protein 0.0024 0.0104 0.0093
Brugia malayi beta-lactamase family protein 0.0043 0.0347 0.1201
Schistosoma mansoni bromodomain containing protein 0.0076 0.0749 0.0738
Schistosoma mansoni hypothetical protein 0.0018 0.0041 0.0029
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Echinococcus multilocularis chromobox protein 1 0.0084 0.0844 0.0833
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.012 0.0376
Loa Loa (eye worm) hypothetical protein 0.0043 0.0347 0.1165
Schistosoma mansoni chromobox protein 0.0084 0.0844 0.0833
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0347 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0859 0.2947
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0491 0.1665
Schistosoma mansoni zinc finger protein 0.0018 0.0041 0.0029
Mycobacterium tuberculosis Possible two component transcriptional regulatory protein (probably LuxR-family) 0.0636 0.7588 1
Mycobacterium ulcerans hypothetical protein 0.0636 0.7588 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.2887 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.0508 0.0496
Leishmania major hypothetical protein, conserved 0.0043 0.0347 1
Brugia malayi beta-lactamase family protein 0.0043 0.0347 0.1201
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0704 0.2407
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0256 0.0244
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0067 0.0055
Schistosoma mansoni hypothetical protein 0.0025 0.012 0.0108
Loa Loa (eye worm) hypothetical protein 0.0043 0.0347 0.1165
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0246 0.0234
Onchocerca volvulus 0.0043 0.0347 0.033
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0414 0.0403
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0347 0.1165
Brugia malayi Bromodomain containing protein 0.0091 0.0922 0.3195
Brugia malayi Pre-SET motif family protein 0.0251 0.2887 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0436 0.0687
Brugia malayi F/Y-rich N-terminus family protein 0.0015 0.0001 0.0002
Echinococcus granulosus chromobox protein 1 0.0084 0.0844 0.0833

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.5849 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 6.3096 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) 7.0795 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 7.9433 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) 10 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) 10 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 11.2202 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) = 12.5893 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) 15.8489 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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