Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50183786
Substrate
n/a
Meas. Tech.
ChEMBL_354051 (CHEMBL870696)
Ki
213±n/a nM
Citation
 Janser, P; Neumann, U; Miltz, W; Feifel, R; Buhl, T A cassette-dosing approach for improvement of oral bioavailability of dual TACE/MMP inhibitors. Bioorg Med Chem Lett 16:2632-6 (2006) [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:
BDBM50183786
Synonyms:
(2R,3S)-N-hydroxy-2-(hydroxymethyl)-3-(4-methoxyphenyl)-4-oxo-4-(piperidin-1-yl)butanamide | CHEMBL206875
Type:
Small organic molecule
Emp. Form.:
C17H24N2O5
Mol. Mass.:
336.3829
SMILES:
COc1ccc(cc1)[C@H]([C@H](CO)C(=O)NO)C(=O)N1CCCCC1
Structure:
Search PDB for entries with ligand similarity: