Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50204386
Substrate
n/a
Meas. Tech.
ChEMBL_447089 (CHEMBL897390)
IC50
>5000±n/a nM
Citation
 Chen, XT; Ghavimi, B; Corbett, RL; Xue, CB; Liu, RQ; Covington, MB; Qian, M; Vaddi, KG; Christ, DD; Hartman, KD; Ribadeneira, MD; Trzaskos, JM; Newton, RC; Decicco, CP; Duan, JJ A new 4-(2-methylquinolin-4-ylmethyl)phenyl P1' group for the beta-amino hydroxamic acid derived TACE inhibitors. Bioorg Med Chem Lett 17:1865-70 (2007) [PubMed]  Article 
Target
Name:
Collagenase 3
Synonyms:
MMP-13 | MMP13 | MMP13_HUMAN | Matrix metalloproteinase-13 | Matrix metalloproteinase-13 (MMP-13) | Matrix metalloproteinase-13 (MMP13)
Type:
Enzyme
Mol. Mass.:
53808.06
Organism:
Homo sapiens (Human)
Description:
P45452
Residue:
471
Sequence:
MHPGVLAAFLFLSWTHCRALPLPSGGDEDDLSEEDLQFAERYLRSYYHPTNLAGILKENAASSMTERLREMQSFFGLEVTGKLDDNTLDVMKKPRCGVPDVGEYNVFPRTLKWSKMNLTYRIVNYTPDMTHSEVEKAFKKAFKVWSDVTPLNFTRLHDGIADIMISFGIKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFLVAAHEFGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQSLYGPGDEDPNPKHPKTPDKCDPSLSLDAITSLRGETMIFKDRFFWRLHPQQVDAELFLTKSFWPELPNRIDAAYEHPSHDLIFIFRGRKFWALNGYDILEGYPKKISELGLPKEVKKISAAVHFEDTGKTLLFSGNQVWRYDDTNHIMDKDYPRLIEEDFPGIGDKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPANSILWC
  
Inhibitor
Name:
BDBM50204386
Synonyms:
(3S,4S)-methyl 3-(hydroxycarbamoyl)-4-(4-((2-methylquinolin-4-yl)methyl)benzamido)pyrrolidine-1-carboxylate | CHEMBL233844
Type:
Small organic molecule
Emp. Form.:
C25H26N4O5
Mol. Mass.:
462.4977
SMILES:
COC(=O)N1C[C@@H](NC(=O)c2ccc(Cc3cc(C)nc4ccccc34)cc2)[C@H](C1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: