Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50131533
Substrate
n/a
Meas. Tech.
ChEMBL_106295 (CHEMBL714551)
IC50
33±n/a nM
Citation
 Levin, JI; Chen, JM; Cheung, K; Cole, D; Crago, C; Santos, ED; Du, X; Khafizova, G; MacEwan, G; Niu, C; Salaski, EJ; Zask, A; Cummons, T; Sung, A; Xu, J; Zhang, Y; Xu, W; Ayral-Kaloustian, S; Jin, G; Cowling, R; Barone, D; Mohler, KM; Black, RA; Skotnicki, JS Acetylenic TACE inhibitors. Part 1. SAR of the acyclic sulfonamide hydroxamates. Bioorg Med Chem Lett 13:2799-803 (2003) [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:
BDBM50131533
Synonyms:
3-[(4-But-2-ynyloxy-benzenesulfonyl)-methyl-amino]-N-hydroxy-propionamide | CHEMBL96419
Type:
Small organic molecule
Emp. Form.:
C14H18N2O5S
Mol. Mass.:
326.368
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)N(C)CCC(=O)NO
Structure:
Search PDB for entries with ligand similarity: