Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50043731
Substrate
n/a
Meas. Tech.
ChEMBL_49501 (CHEMBL662796)
IC50
41200.0±n/a nM
Citation
 Bird, J; De Mello, RC; Harper, GP; Hunter, DJ; Karran, EH; Markwell, RE; Miles-Williams, AJ; Rahman, SS; Ward, RW Synthesis of novel N-phosphonoalkyl dipeptide inhibitors of human collagenase. J Med Chem 37:158-69 (1994) [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:
BDBM50043731
Synonyms:
(1-{1-[(S)-2-(4-Methoxy-phenyl)-1-methylcarbamoyl-ethylcarbamoyl]-3-methyl-butylamino}-pentyl)-phosphonic acid | CHEMBL44691
Type:
Small organic molecule
Emp. Form.:
C22H38N3O6P
Mol. Mass.:
471.5274
SMILES:
CCCCC(NC(CC(C)C)C(=O)N[C@@H](Cc1ccc(OC)cc1)C(=O)NC)P(O)(O)=O
Structure:
Search PDB for entries with ligand similarity: