Target
Collagenase 3
Ligand
BDBM50183724
Substrate
n/a
Meas. Tech.
ChEMBL_354462 (CHEMBL853097)
Ki
>5025±n/a nM
Citation
 Gilmore, JLKing, BWHarris, CMaduskuie, TMercer, SELiu, RQCovington, MBQian, MRibadeneria, MDVaddi, KTrzaskos, JMNewton, RCDecicco, CPDuan, JJ Synthesis and structure-activity relationship of a novel, achiral series of TNF-alpha converting enzyme inhibitors. Bioorg Med Chem Lett 16:2699-704 (2006) [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:
BDBM50183724
Synonyms:
CHEMBL207999 | N-(1-(3,3-dimethylbutanoyl)-4-(2-(hydroxyamino)-2-oxoethyl)piperidin-4-yl)-4-((2-methylquinolin-4-yl)methoxy)benzamide
Type:
Small organic molecule
Emp. Form.:
C31H38N4O5
Mol. Mass.:
546.6572
SMILES:
Cc1cc(COc2ccc(cc2)C(=O)NC2(CC(=O)NO)CCN(CC2)C(=O)CC(C)(C)C)c2ccccc2n1
Structure:
Search PDB for entries with ligand similarity: