Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50136267
Substrate
n/a
Meas. Tech.
ChEBML_106439
Ki
>4949.0±n/a nM
Citation
 Xue, CB; He, X; Roderick, J; Corbett, RL; Duan, JJ; Liu, RQ; Covington, MB; Qian, M; Ribadeneira, MD; Vaddi, K; Christ, DD; Newton, RC; Trzaskos, JM; Magolda, RL; Wexler, RR; Decicco, CP Rational design, synthesis and structure-activity relationships of a cyclic succinate series of TNF-alpha converting enzyme inhibitors. Part 2: lead optimization. Bioorg Med Chem Lett 13:4299-304 (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:
BDBM50136267
Synonyms:
(3R,4S)-Piperidine-3,4-dicarboxylic acid 4-hydroxyamide 3-{[4-(2-methyl-quinolin-4-ylmethoxy)-phenyl]-amide} | CHEMBL137646
Type:
Small organic molecule
Emp. Form.:
C24H26N4O4
Mol. Mass.:
434.4876
SMILES:
Cc1cc(COc2ccc(NC(=O)[C@H]3CNCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1
Structure:
Search PDB for entries with ligand similarity: