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BDBM174248 US9688669, Example 79

SMILES: CN(C)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1

InChI Key: InChIKey=LCZVVKVLCHJVDP-YTXKPMTANA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174248   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5 (mGluR5)


(Homo sapiens (Human))
BDBM174248
PNG
(US9688669, Example 79)
Show SMILES CN(C)CC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1
Show InChI InChI=1/C19H18FN3O2/c1-23(2)8-4-5-13-9-15(12-21-11-13)17-18(25-19(24)22-17)14-6-3-7-16(20)10-14/h3,6-7,9-12,17-18H,8H2,1-2H3,(H,22,24)/t17-,18-/s2
PDB

GoogleScholar
PC cid
PC sid
UniChem
Article
US Patent
n/an/an/an/a 463n/an/an/an/a



Bristol-Myers Squibb Co.

US Patent


Assay Description
HEK293 (ZF) cells stably transfected with human mGluR5A (pIRES neo) and the rat glutamate-aspartate transporter (GLAST; pIRES puro) are grown in a mo...


US Patent US9688669 (2017)


Article DOI: 10.1021/jm960728j
BindingDB Entry DOI: 10.7270/Q25T3HN9
More data for this
Ligand-Target Pair