Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM50325340
Substrate
n/a
Meas. Tech.
ChEMBL_652122 (CHEMBL1228231)
IC50
6±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
More Info.:
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:
BDBM50325340
Synonyms:
(S)-N-(3-(5-(3-methyl-1-(methylamino)-1-oxobutan-2-ylcarbamoyl)furan-2-yl)benzyl)-6-(trifluoromethyl)picolinamide | CHEMBL1223422
Type:
Small organic molecule
Emp. Form.:
C25H25F3N4O4
Mol. Mass.:
502.4856
SMILES:
CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1cccc(CNC(=O)c2cccc(n2)C(F)(F)F)c1)C(C)C |r|