Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM126757
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
4±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:
BDBM126757
Synonyms:
US8785489, 5-methyl-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-N-[(2S)-tetrahydrofuran-2-ylmethyl]-1H-imidazole-2-carboxamide
Type:
Small organic molecule
Emp. Form.:
C21H22N6O3
Mol. Mass.:
406.4378
SMILES:
Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(=O)NC[C@@H]1CCCO1