Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50289123
Substrate
n/a
Meas. Tech.
ChEBML_101764
Ki
1600±n/a nM
Citation
 Chapman, KT; Durette, PL; Caldwell, CG; Sperow, KM; Niedzwiecki, LM; Harrison, RK; Saphos, C; Christen, AJ; Olszewski, JM; Moore, VL; MacCoss, M; Hagmann, WK Orally active inhibitors of stromelysin-1 (MMP-3) Bioorg Med Chem Lett 6:803-806 (1996)    Article 
Target
Name:
Interstitial collagenase
Synonyms:
CLG | Fibroblast collagenase | MMP1 | MMP1_HUMAN | Matrix metalloproteinase-1 | Matrix metalloproteinase-1 (MMP-1)
Type:
Enzyme
Mol. Mass.:
54010.26
Organism:
Homo sapiens (Human)
Description:
P03956
Residue:
469
Sequence:
MHSFPPLLLLLFWGVVSHSFPATLETQEQDVDLVQKYLEKYYNLKNDGRQVEKRRNSGPVVEKLKQMQEFFGLKVTGKPDAETLKVMKQPRCGVPDVAQFVLTEGNPRWEQTHLTYRIENYTPDLPRADVDHAIEKAFQLWSNVTPLTFTKVSEGQADIMISFVRGDHRDNSPFDGPGGNLAHAFQPGPGIGGDAHFDEDERWTNNFREYNLHRVAAHELGHSLGLSHSTDIGALMYPSYTFSGDVQLAQDDIDGIQAIYGRSQNPVQPIGPQTPKACDSKLTFDAITTIRGEVMFFKDRFYMRTNPFYPEVELNFISVFWPQLPNGLEAAYEFADRDEVRFFKGNKYWAVQGQNVLHGYPKDIYSSFGFPRTVKHIDAALSEENTGKTYFFVANKYWRYDEYKRSMDPGYPKMIAHDFPGIGHKVDAVFMKDGFFYFFHGTRQYKFDPKTKRILTLQKANSWFNCRKN
  
Inhibitor
Name:
BDBM50289123
Synonyms:
(R)-2-[(S)-1-(3-Methyl-1-phenylcarbamoyl-butylcarbamoyl)-3-(4-propyl-phenyl)-propylamino]-6-(1-oxo-1,3-dihydro-isoindol-2-yl)-hexanoic acid | CHEMBL267536
Type:
Small organic molecule
Emp. Form.:
C39H50N4O5
Mol. Mass.:
654.8381
SMILES:
CCCc1ccc(CC[C@H](N[C@H](CCCCN2Cc3ccccc3C2=O)C(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)cc1
Structure:
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