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Target
Collagenase 3
Ligand
BDBM50325344
Substrate
n/a
Meas. Tech.
ChEMBL_652122 (CHEMBL1228231)
IC50
29±n/a nM
Citation
 Gao, DA; Xiong, Z; Heim-Riether, A; Amodeo, L; August, EM; Cao, X; Ciccarelli, L; Collins, BK; Harrington, K; Haverty, K; Hill-Drzewi, M; Li, X; Liang, S; Margarit, SM; Moss, N; Nagaraja, N; Proudfoot, J; Roman, R; Schlyer, S; Keenan, LS; Taylor, S; Wellenzohn, B; Wiedenmayer, D; Li, J; Farrow, NA SAR studies of non-zinc-chelating MMP-13 inhibitors: improving selectivity and metabolic stability. Bioorg Med Chem Lett 20:5039-43 (2010) [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:
BDBM50325344
Synonyms:
(R)-N-(3-(5-(1-cyclohexyl-2-(methylamino)-2-oxoethylcarbamoyl)furan-2-yl)benzyl)-5-ethylnicotinamide | CHEMBL1223353
Type:
Small organic molecule
Emp. Form.:
C29H34N4O4
Mol. Mass.:
502.6047
SMILES:
CCc1cncc(c1)C(=O)NCc1cccc(c1)-c1ccc(o1)C(=O)N[C@H](C1CCCCC1)C(=O)NC |r|
Structure:
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