Reaction Details Report a problem with these data
Target
Collagenase 3
Ligand
BDBM126808
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
113±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:
BDBM126808
Synonyms:
US8785489, 2-(3-methyl-1,2,4-oxadiazol-5-yl)-5-[5-methyl-2-(pyrrolidin-1-ylcarbonyl)-1H-imidazol-4-yl]-1H-indole
Type:
Small organic molecule
Emp. Form.:
C20H20N6O2
Mol. Mass.:
376.4118
SMILES:
Cc1noc(n1)-c1cc2cc(ccc2[nH]1)-c1nc([nH]c1C)C(=O)N1CCCC1
Structure:
Search PDB for entries with ligand similarity: