Reaction Details Report a problem with these data
Target
Interstitial collagenase
Ligand
BDBM50290444
Substrate
n/a
Meas. Tech.
ChEMBL_458935 (CHEMBL924954)
IC50
19953±n/a nM
Citation
 Verma, RP; Hansch, C Matrix metalloproteinases (MMPs): chemical-biological functions and (Q)SARs. Bioorg Med Chem 15:2223-68 (2007) [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:
BDBM50290444
Synonyms:
(R)-3-(((S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl)carbamoyl)undecanoic acid | (R)-3-((S)-2,2-Dimethyl-1-methylcarbamoyl-propylcarbamoyl)-undecanoic acid | CHEMBL418472
Type:
Small organic molecule
Emp. Form.:
C19H36N2O4
Mol. Mass.:
356.5001
SMILES:
CCCCCCCC[C@H](CC(O)=O)C(=O)N[C@H](C(=O)NC)C(C)(C)C
Structure:
Search PDB for entries with ligand similarity: