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Target
Collagenase 3
Ligand
BDBM126789
Substrate
n/a
Meas. Tech.
Biological Assay
IC50
35±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:
BDBM126789
Synonyms:
US8785489, ethyl 5-(2-{[(6-oxo-1,6-dihydropyridin-3-yl)methyl]carbamoyl}pyridin-4-yl)-1H-indole-2-carboxylate
Type:
Small organic molecule
Emp. Form.:
C23H20N4O4
Mol. Mass.:
416.4293
SMILES:
CCOC(=O)c1cc2cc(ccc2[nH]1)-c1ccnc(c1)C(=O)NCc1ccc(=O)[nH]c1
Structure:
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