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SMILES: Fc1cc(F)c(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1

InChI Key: InChIKey=IZYWOZIAROZZOV-QZTJIDSGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174335   
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
Isoform 1 of Metabotropic glutamate receptor 5 (5a)


(Homo sapiens (Human))		BDBM174335
PNG
(US9688669, Example 122)
Show SMILES Fc1cc(F)c(cc1F)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CC1CC(F)(F)C1 |r|
Show InChI InChI=1S/C20H13F5N2O2/c21-14-5-16(23)15(22)4-13(14)18-17(27-19(28)29-18)12-3-10(8-26-9-12)1-2-11-6-20(24,25)7-11/h3-5,8-9,11,17-18H,6-7H2,(H,27,28)/t17-,18-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 59n/an/an/an/a



Bristol-Myers Squibb Company

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)


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