Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50128634
Substrate
n/a
Meas. Tech.
ChEMBL_106291 (CHEMBL714547)
IC50
2640±n/a nM
Citation
 Aranapakam, V; Davis, JM; Grosu, GT; Baker, J; Ellingboe, J; Zask, A; Levin, JI; Sandanayaka, VP; Du, M; Skotnicki, JS; DiJoseph, JF; Sung, A; Sharr, MA; Killar, LM; Walter, T; Jin, G; Cowling, R; Tillett, J; Zhao, W; McDevitt, J; Xu, ZB Synthesis and structure-activity relationship of N-substituted 4-arylsulfonylpiperidine-4-hydroxamic acids as novel, orally active matrix metalloproteinase inhibitors for the treatment of osteoarthritis. J Med Chem 46:2376-96 (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:
BDBM50128634
Synonyms:
1-Cyclooctyl-4-(4-methoxy-benzenesulfonyl)-piperidine-4-carboxylic acid hydroxyamide | 1-cyclooctyl-N-hydroxy-4-(4-methoxyphenylsulfonyl)piperidine-4-carboxamide | CHEMBL81763
Type:
Small organic molecule
Emp. Form.:
C21H32N2O5S
Mol. Mass.:
424.554
SMILES:
COc1ccc(cc1)S(=O)(=O)C1(CCN(CC1)C1CCCCCCC1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: