Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50070244
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:
BDBM50070244
Synonyms:
2-(1-Hydroxy-2-mercapto-ethyl)-nonanoic acid [(S)-2-cyclohexyl-1-(2-morpholin-4-yl-ethylcarbamoyl)-ethyl]-amide | CHEMBL16154
Type:
Small organic molecule
Emp. Form.:
C26H49N3O4S
Mol. Mass.:
499.75
SMILES:
CCCCCCCC(C(O)CS)C(=O)N[C@@H](CC1CCCCC1)C(=O)NCCN1CCOCC1
Structure:
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