Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50070223
Substrate
n/a
Meas. Tech.
ChEBML_105964
IC50
>20±n/a nM
Citation
 Campbell, DA; Xiao, XY; Harris, D; Ida, S; Mortezaei, R; Ngu, K; Shi, L; Tien, D; Wang, Y; Navre, M; Patel, DV; Sharr, MA; DiJoseph, JF; Killar, LM; Leone, CL; Levin, JI; Skotnicki, JS Malonyl alpha-mercaptoketones and alpha-mercaptoalcohols, a new class of matrix metalloproteinase inhibitors. Bioorg Med Chem Lett 8:1157-62 (1999) [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:
BDBM50070223
Synonyms:
2-(2-Mercapto-acetyl)-nonanoic acid ((S)-3-methyl-1-phenethylcarbamoyl-butyl)-amide | CHEMBL16398
Type:
Small organic molecule
Emp. Form.:
C25H40N2O3S
Mol. Mass.:
448.662
SMILES:
CCCCCCCC(C(=O)CS)C(=O)N[C@@H](CC(C)C)C(=O)NCCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: