Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50429242
Substrate
n/a
Meas. Tech.
ChEMBL_946632 (CHEMBL2342140)
IC50
3600±n/a nM
Citation
 Yuan, H; Lu, W; Wang, L; Shan, L; Li, H; Huang, J; Sun, Q; Zhang, W Synthesis of derivatives of methyl rosmarinate and their inhibitory activities against matrix metalloproteinase-1 (MMP-1). Eur J Med Chem 62:148-57 (2013) [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:
BDBM50429242
Synonyms:
CHEMBL2333278
Type:
Small organic molecule
Emp. Form.:
C27H27NO7
Mol. Mass.:
477.5058
SMILES:
COc1ccc(CC(OC(=O)\C=C\c2ccc(OCc3ccccc3)cc2)C(=O)NO)cc1OC
Structure:
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