Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM126764
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
6±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 
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:
BDBM126764
Synonyms:
US8785489, 4-[2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1H-indol-5-yl]-5-methyl-N-(pyridin-4-ylmethyl)-1H-imidazole-2-carboxamide
Type:
Small organic molecule
Emp. Form.:
C24H21N7O2
Mol. Mass.:
439.4692
SMILES:
Cc1[nH]c(nc1-c1ccc2[nH]c(cc2c1)-c1nc(no1)C1CC1)C(=O)NCc1ccncc1
Structure:
Search PDB for entries with ligand similarity: