Detailed information for compound 274792

Basic information

Technical information
  • TDR Targets ID: 274792
  • Name: (2R)-2-[[(2S)-1-[benzyl(methyl)amino]-4-methy l-1-oxopentan-2-yl]amino]-4-(1,3-dioxobenzo[f ]isoindol-2-yl)butanoic acid
  • MW: 515.6 | Formula: C30H33N3O5
  • H donors: 2 H acceptors: 5 LogP: 2.17 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CC(C[C@@H](C(=O)N(Cc1ccccc1)C)N[C@@H](C(=O)O)CCN1C(=O)c2c(C1=O)cc1c(c2)cccc1)C
  • InChi: 1S/C30H33N3O5/c1-19(2)15-26(29(36)32(3)18-20-9-5-4-6-10-20)31-25(30(37)38)13-14-33-27(34)23-16-21-11-7-8-12-22(21)17-24(23)28(33)35/h4-12,16-17,19,25-26,31H,13-15,18H2,1-3H3,(H,37,38)/t25-,26+/m1/s1
  • InChiKey: PCKJJBIMKAITOP-FTJBHMTQSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2R)-2-[[(1S)-1-[benzyl(methyl)carbamoyl]-3-methyl-butyl]amino]-4-(1,3-dioxobenzo[f]isoindol-2-yl)butanoic acid
  • (2R)-2-[[(1S)-1-[[benzyl(methyl)amino]-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-[methyl(phenylmethyl)amino]-1-oxo-pentan-2-yl]amino]butanoic acid
  • (2R)-2-[[(1S)-1-[benzyl(methyl)carbamoyl]-3-methyl-butyl]amino]-4-(1,3-diketobenzo[f]isoindol-2-yl)butyric acid
  • (2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2S)-4-methyl-1-(methyl-(phenylmethyl)amino)-1-oxopentan-2-yl]amino]butanoic acid
  • (2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(1S)-3-methyl-1-(methyl-(phenylmethyl)carbamoyl)butyl]amino]butanoic acid
  • (2R)-4-(1,3-dioxo-2-benzo[f]isoindolyl)-2-[[(1S)-3-methyl-1-[(methyl-(phenylmethyl)amino)-oxomethyl]butyl]amino]butanoic acid
  • (2R)-2-[[(1S)-1-(benzyl-methyl-carbamoyl)-3-methyl-butyl]amino]-4-(1,3-diketobenzo[f]isoindol-2-yl)butyric acid
  • (2R)-4-(1,3-dioxobenzo[f]isoindol-2-yl)-2-[[(2S)-4-methyl-1-(methyl-(phenylmethyl)amino)-1-oxo-pentan-2-yl]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
Echinococcus granulosus matrix metallopeptidase 7 M10 family matrix metallopeptidase 3 (stromelysin 1, progelatinase) 477 aa 431 aa 34.6 %
Brugia malayi Matrixin family protein matrix metallopeptidase 1 (interstitial collagenase) 403 aa 401 aa 27.7 %
Obtained from network model

Ranking Plot

Putative Targets List

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 37 nM Activity against human collagenase (MMP-1). ChEMBL. 8126708
IC50 (binding) = 37 nM Activity against human collagenase (MMP-1). ChEMBL. 8126708
IC50 (binding) = 57 nM Activity against human gelatinase (MMP-9). ChEMBL. 8126708
IC50 (binding) = 57 nM Activity against human gelatinase (MMP-9). ChEMBL. 8126708
IC50 (binding) = 1159 nM Activity against human stromelysin (MMP-3). ChEMBL. 8126708
IC50 (binding) = 1159 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

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.