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Target
Interstitial collagenase
Ligand
BDBM50332480
Substrate
n/a
Meas. Tech.
ChEMBL_697251 (CHEMBL1640795)
IC50
557000±n/a nM
Citation
 Yang, JS; Chun, K; Park, JE; Cho, M; Seo, J; Song, D; Yoon, H; Park, CH; Joe, BY; Choi, JH; Kim, MH; Han, G Structure based optimization of chromen-based TNF-a converting enzyme (TACE) inhibitors on S1' pocket and their quantitative structure-activity relationship (QSAR) study. Bioorg Med Chem 18:8618-29 (2010) [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:
BDBM50332480
Synonyms:
4-(4-(2-(Diethylamino)ethoxy)phenyl)-2-((7-methyl-2-oxo-2H-chromen-3-yl)methyl)-butanoic acid hydroxyamide | CHEMBL1630091
Type:
Small organic molecule
Emp. Form.:
C27H34N2O5
Mol. Mass.:
466.5693
SMILES:
CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1
Structure:
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