Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50082540
Substrate
n/a
Meas. Tech.
ChEMBL_105952 (CHEMBL715366)
IC50
1.9±n/a nM
Citation
 Almstead, NG; Bradley, RS; Pikul, S; De, B; Natchus, MG; Taiwo, YO; Gu, F; Williams, LE; Hynd, BA; Janusz, MJ; Dunaway, CM; Mieling, GE Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors. J Med Chem 42:4547-62 (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:
BDBM50082540
Synonyms:
(3S,6R)-6-Hydroxy-4-(4-methoxy-benzenesulfonyl)-2,2-dimethyl-1,1-dioxo-1lambda*6*-[1,4]thiazepane-3-carboxylic acid hydroxyamide | CHEMBL341570
Type:
Small organic molecule
Emp. Form.:
C15H22N2O8S2
Mol. Mass.:
422.474
SMILES:
COc1ccc(cc1)S(=O)(=O)N1C[C@@H](O)CS(=O)(=O)C(C)(C)[C@@H]1C(=O)NO
Structure:
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