Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50361618
Substrate
n/a
Meas. Tech.
ChEMBL_799150 (CHEMBL1942200)
IC50
>22000±n/a nM
Citation
 Taylor, SJ; Abeywardane, A; Liang, S; Muegge, I; Padyana, AK; Xiong, Z; Hill-Drzewi, M; Farmer, B; Li, X; Collins, B; Li, JX; Heim-Riether, A; Proudfoot, J; Zhang, Q; Goldberg, D; Zuvela-Jelaska, L; Zaher, H; Li, J; Farrow, NA Fragment-based discovery of indole inhibitors of matrix metalloproteinase-13. J Med Chem 54:8174-87 (2011) [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:
BDBM50361618
Synonyms:
CHEMBL1939876 | US8785489, 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
Type:
Small organic molecule
Emp. Form.:
C24H22N4O5
Mol. Mass.:
446.4553
SMILES:
CCOC(=O)c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(cc1)C(O)=O
Structure:
Search PDB for entries with ligand similarity: