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Target
Interstitial collagenase
Ligand
BDBM50183713
Substrate
n/a
Meas. Tech.
ChEMBL_354459 (CHEMBL870684)
Ki
>4949±n/a nM
Citation
 Gilmore, JL; King, BW; Harris, C; Maduskuie, T; Mercer, SE; Liu, RQ; Covington, MB; Qian, M; Ribadeneria, MD; Vaddi, K; Trzaskos, JM; Newton, RC; Decicco, CP; Duan, JJ Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett 16:2699-704 (2006) [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:
BDBM50183713
Synonyms:
CHEMBL208172 | N-(1-(2-(ethylsulfonyl)ethyl)-4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
Type:
Small organic molecule
Emp. Form.:
C29H36N4O6S
Mol. Mass.:
568.684
SMILES:
CCS(=O)(=O)CCN1CCC(CC(=O)NO)(CC1)NC(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1
Structure:
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