TDR Targets

Basic information

Technical information

TDR Targets ID: 275598
Name: (2R)-2-[[(2S)-1-(benzylamino)-4-methyl-1-oxop entan-2-yl]amino]-4-(1,3-dioxobenzo[f]isoindo l-2-yl)butanoic acid
MW: 501.574 | Formula: C29H31N3O5
H donors: 3 H acceptors: 5 LogP: 1.99 Rotable bonds: 12
Rule of 5 violations (Lipinski): 2
SMILES: CC(C[C@@H](C(=O)NCc1ccccc1)N[C@@H](C(=O)O)CCN1C(=O)c2c(C1=O)cc1c(c2)cccc1)C
InChi: 1S/C29H31N3O5/c1-18(2)14-25(26(33)30-17-19-8-4-3-5-9-19)31-24(29(36)37)12-13-32-27(34)22-15-20-10-6-7-11-21(20)16-23(22)28(32)35/h3-11,15-16,18,24-25,31H,12-14,17H2,1-2H3,(H,30,33)(H,36,37)/t24-,25+/m1/s1
InChiKey: OEVLRZHPDAKFSL-RPBOFIJWSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

(2R)-2-[[(1S)-1-(benzylcarbamoyl)-3-methyl-butyl]amino]-4-(1,3-dioxobenzo[f]isoindol-2-yl)butanoic acid
(2R)-2-[[(1S)-1-[(benzylamino)-oxomethyl]-3-methylbutyl]amino]-4-(1,3-dioxo-2-benzo[f]isoindolyl)butanoic acid
(2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2S)-4-methyl-1-oxo-1-(phenylmethylamino)pentan-2-yl]amino]butanoic acid
(2R)-2-[[(1S)-1-(benzylcarbamoyl)-3-methyl-butyl]amino]-4-(1,3-diketobenzo[f]isoindol-2-yl)butyric acid
(2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(1S)-3-methyl-1-(phenylmethylcarbamoyl)butyl]amino]butanoic acid
(2R)-4-(1,3-dioxo-2-benzo[f]isoindolyl)-2-[[(1S)-3-methyl-1-[oxo-(phenylmethylamino)methyl]butyl]amino]butanoic acid

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	matrix metallopeptidase 3 (stromelysin 1, progelatinase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 1 (interstitial collagenase)	Starlite/ChEMBL	References
Homo sapiens	matrix metallopeptidase 9 (gelatinase B, 92kDa gelatinase, 92kDa type IV collagenase)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Matrixin family protein	matrix metallopeptidase 1 (interstitial collagenase)	403 aa	401 aa	27.7 %
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	matrix metallopeptidase 3 (stromelysin 1, progelatinase)	477 aa	431 aa	34.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	steroid hormone receptor	0.0576	0.5449	0.5402
Brugia malayi	hypothetical protein	0.0304	0.2294	0.2213
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0272	0.1915	0.1915
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Loa Loa (eye worm)	matrixin family protein	0.0178	0.0829	0.0733
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0576	0.5449	0.5449
Loa Loa (eye worm)	TK/INSR protein kinase	0.0312	0.2378	0.2299
Schistosoma mansoni	nuclear receptor	0.0272	0.1915	0.1715
Onchocerca volvulus	Glutamine synthetase homolog	0.0484	0.4384	0.7776
Trypanosoma brucei	glutamine synthetase, putative	0.0753	0.7504	0.5
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0576	0.5449	0.5337
Brugia malayi	nuclear receptor RXR	0.0272	0.1915	0.1831
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0576	0.5449	0.5402
Schistosoma mansoni	tyrosine kinase	0.0968	1	1
Onchocerca volvulus		0.0272	0.1915	0.2624
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0128	0.0242	0.0242
Brugia malayi	Matrixin family protein	0.0178	0.0829	0.0733
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0272	0.1915	0.1715
Brugia malayi	nuclear hormone receptor	0.0272	0.1915	0.1831
Loa Loa (eye worm)	hypothetical protein	0.0576	0.5449	0.5402
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0128	0.0242	0.0242
Schistosoma mansoni	tyrosine kinase	0.0521	0.4817	0.4689
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0268	0.1871	0.1871
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0576	0.5449	0.5402
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0576	0.5449	0.5402
Brugia malayi	nuclear receptor NHR-88	0.0576	0.5449	0.5402
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0128	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0576	0.5449	0.5402
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0128	0.0242	0.0242
Loa Loa (eye worm)	matrixin family protein	0.0163	0.0658	0.056
Brugia malayi	Steroid receptor seven-up type 2	0.0576	0.5449	0.5402
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0272	0.1915	0.1915
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0272	0.1915	0.1915
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0521	0.4817	0.4817
Brugia malayi	ecdysone receptor	0.0272	0.1915	0.1831
Echinococcus granulosus	ecdysone induced protein 78C	0.0576	0.5449	0.5449
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0116	0.0103	0.0103
Brugia malayi	Nuclear hormone receptor E75	0.0272	0.1915	0.1831
Plasmodium falciparum	glutamine synthetase, putative	0.0484	0.4384	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0128	0.0242	0.0242
Brugia malayi	Nuclear hormone receptor E75	0.0272	0.1915	0.1831
Loa Loa (eye worm)	Gln-2 protein	0.0484	0.4384	0.4325
Loa Loa (eye worm)	hypothetical protein	0.0576	0.5449	0.5402
Loa Loa (eye worm)	hypothetical protein	0.0576	0.5449	0.5402
Echinococcus multilocularis	epidermal growth factor receptor	0.0521	0.4817	0.4817
Echinococcus multilocularis	nuclear receptor nhr 48	0.0272	0.1915	0.1915
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0576	0.5449	0.5402
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0128	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Echinococcus multilocularis	epidermal growth factor receptor	0.0968	1	1
Brugia malayi	conserved hypotetical protein	0.0272	0.1915	0.1831
Echinococcus granulosus	tyrosine protein kinase Blk	0.0116	0.0103	0.0103
Echinococcus multilocularis		0.0298	0.2226	0.2226
Brugia malayi	nuclear receptor NHR-88	0.0272	0.1915	0.1831
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0576	0.5449	1
Echinococcus granulosus	glutamine synthetase	0.0753	0.7504	0.7504
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0576	0.5449	0.5449
Schistosoma mansoni	glutamine synthetase bacteria	0.019	0.0966	0.0743
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0116	0.0103	0.0103
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0272	0.1915	0.1915
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0128	0.0242	0.0242
Trichomonas vaginalis	glutamine synthetase-bacteria, putative	0.019	0.0966	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0576	0.5449	0.5402
Schistosoma mansoni	retinoic acid receptor RXR	0.0576	0.5449	0.5337
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0272	0.1915	0.1915
Brugia malayi	nuclear receptor NHR-67	0.0272	0.1915	0.1831
Schistosoma mansoni	thyroid hormone receptor	0.0576	0.5449	0.5337
Echinococcus granulosus	insulin receptor	0.0312	0.2378	0.2378
Loa Loa (eye worm)	hypothetical protein	0.0304	0.2294	0.2213
Loa Loa (eye worm)	DR-78	0.0272	0.1915	0.1831
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0576	0.5449	0.5449
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0576	0.5449	0.5337
Schistosoma mansoni	tyrosine kinase	0.0513	0.4714	0.4583
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0576	0.5449	0.5449
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0576	0.5449	0.5402
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0128	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0576	0.5449	0.5402
Brugia malayi	nuclear hormone receptor	0.0576	0.5449	0.5402
Wolbachia endosymbiont of Brugia malayi	glutamine synthetase	0.019	0.0966	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0576	0.5449	0.5402
Onchocerca volvulus	Bile acid receptor homolog	0.0576	0.5449	1
Loa Loa (eye worm)	hypothetical protein	0.0576	0.5449	0.5402
Mycobacterium ulcerans	glutamine synthetase	0.0484	0.4384	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0576	0.5449	1
Echinococcus granulosus	tyrosine kinase	0.0116	0.0103	0.0103
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0116	0.0103	0.0103
Brugia malayi	SRC-1	0.0128	0.0242	0.014
Echinococcus granulosus	FTZ F1 alpha	0.0576	0.5449	0.5449
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0576	0.5449	0.5402
Schistosoma mansoni	coup transcription factor	0.0576	0.5449	0.5337
Schistosoma mansoni	nuclear hormone receptor	0.0272	0.1915	0.1715
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0128	0.0242	0.0242
Schistosoma mansoni	tyrosine kinase	0.0513	0.4714	0.4583
Trichomonas vaginalis	glutamine synthetase, putative	0.019	0.0966	0.5
Onchocerca volvulus		0.0576	0.5449	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0128	0.0242	0.0242
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0576	0.5449	0.5402
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0576	0.5449	0.5337
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0272	0.1915	0.1831
Schistosoma mansoni	tyrosine kinase	0.0312	0.2378	0.219
Brugia malayi	Nuclear hormone receptor-like 1	0.0576	0.5449	0.5402
Echinococcus granulosus	nuclear receptor nhr 48	0.0272	0.1915	0.1915
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0576	0.5449	0.5402
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Brugia malayi	Nuclear hormone receptor-like 1	0.0304	0.2294	0.2213
Echinococcus multilocularis	FTZ F1 alpha	0.0576	0.5449	0.5449
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Trypanosoma cruzi	glutamine synthetase, putative	0.0753	0.7504	0.5
Loa Loa (eye worm)	nuclear hormone receptor	0.0272	0.1915	0.1831
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0576	0.5449	0.5449
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Echinococcus multilocularis	ecdysone induced protein 78C	0.0576	0.5449	0.5449
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0304	0.2294	0.2213
Mycobacterium leprae	PROBABLE GLUTAMINE SYNTHETASE GLNA2 (GLUTAMINE SYNTHASE) (GS-II)	0.0484	0.4384	0.5
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0272	0.1915	0.1715
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0272	0.1915	0.1831
Echinococcus multilocularis	insulin receptor	0.0312	0.2378	0.2378
Schistosoma mansoni	zinc finger protein	0.0272	0.1915	0.1715
Brugia malayi	hypothetical protein	0.0272	0.1915	0.1831
Brugia malayi	hypothetical protein	0.0272	0.1915	0.1831
Leishmania major	glutamine synthetase, putative	0.0753	0.7504	0.5
Brugia malayi	Protein kinase domain containing protein	0.0312	0.2378	0.2299
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0576	0.5449	0.5449
Loa Loa (eye worm)	hypothetical protein	0.0304	0.2294	0.2213
Plasmodium vivax	glutamine synthetase, putative	0.0484	0.4384	0.5
Schistosoma mansoni	tyrosine kinase	0.0521	0.4817	0.4689
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0272	0.1915	0.1915
Echinococcus granulosus	thyroid hormone receptor alpha	0.0272	0.1915	0.1915
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0576	0.5449	0.5402
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0576	0.5449	0.5402
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0272	0.1915	0.1915
Schistosoma mansoni	nuclear receptor	0.0272	0.1915	0.1715
Brugia malayi	tailless protein	0.0272	0.1915	0.1831
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0576	0.5449	0.5337
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0128	0.0242	0.0242
Schistosoma mansoni	thyroid hormone receptor	0.0576	0.5449	0.5337
Entamoeba histolytica	glutamine synthetase, putative	0.019	0.0966	0.5
Schistosoma mansoni	tyrosine kinase	0.0312	0.2378	0.219
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0576	0.5449	0.5402
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0128	0.0242	0.0242
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0576	0.5449	0.5337
Mycobacterium ulcerans	glutamine synthetase GlnA1	0.0484	0.4384	1
Loa Loa (eye worm)	hypothetical protein	0.0576	0.5449	0.5402
Trypanosoma cruzi	glutamine synthetase, putative	0.0753	0.7504	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0304	0.2294	0.2103
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Brugia malayi	photoreceptor-specific nuclear receptor	0.0576	0.5449	0.5402
Schistosoma mansoni	nuclear hormone receptor	0.0272	0.1915	0.1715
Loa Loa (eye worm)	hypothetical protein	0.0304	0.2294	0.2213
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0128	0.0242	0.0242
Schistosoma mansoni	glutamine synthetase 1 2 (glutamate-amonia ligase) (gs)	0.0753	0.7504	0.7443
Brugia malayi	glutamine synthetase	0.0269	0.188	0.1795
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0576	0.5449	0.5402
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0272	0.1915	0.1831
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0576	0.5449	0.5449
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0576	0.5449	0.5449
Brugia malayi	steroid hormone receptor	0.0576	0.5449	0.5402
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0128	0.0242	0.0242
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0576	0.5449	0.5449
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0576	0.5449	0.5402
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0272	0.1915	0.2624
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0576	0.5449	0.5402
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0576	0.5449	0.5402
Brugia malayi	nuclear receptor RXR	0.0304	0.2294	0.2213
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0576	0.5449	0.5337
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0576	0.5449	0.5337
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0312	0.2378	0.2378
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0128	0.0242	0.0242
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0268	0.1871	0.1871
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0576	0.5449	0.5449
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0576	0.5449	0.5402
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0128	0.0242	0.0242
Toxoplasma gondii	glutamine synthetase, type I, putative	0.0484	0.4384	0.5
Loa Loa (eye worm)	hypothetical protein	0.0576	0.5449	0.5402
Schistosoma mansoni	RAR-like nuclear receptor	0.0576	0.5449	0.5337
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0576	0.5449	0.5449
Loa Loa (eye worm)	hypothetical protein	0.0304	0.2294	0.2213
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0272	0.1915	0.2624
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0304	0.2294	0.2103
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0128	0.0242	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0116	0.0103	0.0103
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0576	0.5449	0.5402
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0272	0.1915	0.1915
Brugia malayi	ecdysteroid receptor	0.0576	0.5449	0.5402
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0304	0.2294	0.2294
Brugia malayi	Nuclear hormone receptor-like 1	0.0304	0.2294	0.2213
Brugia malayi	orphan nuclear receptor NR2E1	0.0272	0.1915	0.1831
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0272	0.1915	0.1915
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Loa Loa (eye worm)	hypothetical protein	0.0272	0.1915	0.1831
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0576	0.5449	0.5449
Loa Loa (eye worm)	hypothetical protein	0.0304	0.2294	0.2213
Onchocerca volvulus		0.0272	0.1915	0.2624
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0304	0.2294	0.2294
Echinococcus multilocularis	glutamine synthetase	0.0753	0.7504	0.7504
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0576	0.5449	0.5449
Brugia malayi	hypothetical protein	0.0304	0.2294	0.2213
Loa Loa (eye worm)	SRC-1	0.0128	0.0242	0.014
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0968	1	1
Mycobacterium tuberculosis	Probable glutamine synthetase GlnA2 (glutamine synthase) (GS-II)	0.0484	0.4384	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0576	0.5449	0.5449
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0312	0.2378	0.2378
Echinococcus granulosus	epidermal growth factor receptor	0.0521	0.4817	0.4817
Schistosoma mansoni	glutamine synthetase bacteria	0.019	0.0966	0.0743
Brugia malayi	nuclear hormone receptor family member odr-7	0.0272	0.1915	0.1831
Echinococcus granulosus	epidermal growth factor receptor	0.0968	1	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0576	0.5449	0.5402
Entamoeba histolytica	glutamine synthetase, putative	0.019	0.0966	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0576	0.5449	0.5337
Schistosoma mansoni	nuclear receptor nhr-48	0.0272	0.1915	0.1715
Schistosoma mansoni	tyrosine kinase	0.0513	0.4714	0.4583
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0272	0.1915	0.1831

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 32 nM	Activity against human gelatinase (MMP-9).	ChEMBL.	8126708
IC50 (binding)	= 32 nM	Activity against human gelatinase (MMP-9).	ChEMBL.	8126708
IC50 (binding)	= 87 nM	Activity against human collagenase (MMP-1).	ChEMBL.	8126708
IC50 (binding)	= 87 nM	Activity against human collagenase (MMP-1).	ChEMBL.	8126708
IC50 (binding)	= 1523 nM	Activity against human stromelysin (MMP-3).	ChEMBL.	8126708
IC50 (binding)	= 1523 nM	Activity against human stromelysin (MMP-3).	ChEMBL.	8126708

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.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL433902
PubChem: 10074738

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 275598