Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50131942
Substrate
n/a
Meas. Tech.
ChEMBL_106113 (CHEMBL713706)
IC50
>10000±n/a nM
Citation
 Le Diguarher, T; Chollet, AM; Bertrand, M; Hennig, P; Raimbaud, E; Sabatini, M; Guilbaud, N; Pierré, A; Tucker, GC; Casara, P Stereospecific synthesis of 5-substituted 2-bisarylthiocyclopentane carboxylic acids as specific matrix metalloproteinase inhibitors. J Med Chem 46:3840-52 (2003) [PubMed]  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:
BDBM50131942
Synonyms:
2-(4'-Chloro-biphenyl-4-ylsulfanyl)-5-(2,4-dioxo-2H-pyrido[1,2-a][1,3,5]triazin-3-ylmethyl)-cyclopentanecarboxylic acid | CHEMBL338877
Type:
Small organic molecule
Emp. Form.:
C26H22ClN3O4S
Mol. Mass.:
507.989
SMILES:
OC(=O)[C@H]1[C@H](Cn2c(=O)nc3ccccn3c2=O)CC[C@@H]1Sc1ccc(cc1)-c1ccc(Cl)cc1
Structure:
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