Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM126741
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
1.5±n/a nM
Citation
Abeywardane, A; Farmer, B; Farrow, NA; Gao, DA; Heim-Riether, A; Smith Keenan, LL; Mugge, IA; Taylor, SJ; Xiong, Z; Yu, Y; Zhang, Q Heteroaryl substituted indole compounds useful as MMP-13 inhibitors US Patent US8785489 Publication Date 7/22/2014
More Info.:
Target
Name:
Collagenase 3
Synonyms:
MMP13_MOUSE | Matrix metallopeptidase 13 (MMP13) | Mmp13
Type:
Protein
Mol. Mass.:
54166.75
Organism:
Mus musculus (Mouse)
Description:
Q3U9V5
Residue:
472
Sequence:
MHSAILATFFLLSWTPCWSLPLPYGDDDDDDLSEEDLVFAEHYLKSYYHPATLAGILKKSTVTSTVDRLREMQSFFGLEVTGKLDDPTLDIMRKPRCGVPDVGEYNVFPRTLKWSQTNLTYRIVNYTPDMSHSEVEKAFRKAFKVWSDVTPLNFTRIYDGTADIMISFGTKEHGDFYPFDGPSGLLAHAFPPGPNYGGDAHFDDDETWTSSSKGYNLFIVAAHELGHSLGLDHSKDPGALMFPIYTYTGKSHFMLPDDDVQGIQFLYGPGDEDPNPKHPKTPEKCDPALSLDAITSLRGETMIFKDRFFWRLHPQQVEAELFLTKSFWPELPNHVDAAYEHPSRDLMFIFRGRKFWALNGYDILEGYPRKISDLGFPKEVKRLSAAVHFENTGKTLFFSENHVWSYDDVNQTMDKDYPRLIEEEFPGIGNKVDAVYEKNGYIYFFNGPIQFEYSIWSNRIVRVMPTNSILWC
Inhibitor
Name:
BDBM126741
Synonyms:
US8785489, 4-{[({1-methyl-5-[2-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
Type:
Small organic molecule
Emp. Form.:
C25H22N6O3
Mol. Mass.:
454.4806
SMILES:
Cn1cc(cn1)-c1cc2cc(ccc2[nH]1)-c1cc(nn1C)C(=O)NCc1ccc(cc1)C(O)=O