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SMILES: CC1CN(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)N=C1

InChI Key: InChIKey=ORTIFVDPQJRQRN-LZVFCHHLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 174206   
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))		BDBM174206
PNG
(US9688669, Example 54)
Show SMILES CC1CN(CC#Cc2cncc(c2)[C@H]2NC(=O)O[C@@H]2c2cccc(F)c2)N=C1 |r,c:29|
Show InChI InChI=1S/C21H19FN4O2/c1-14-10-24-26(13-14)7-3-4-15-8-17(12-23-11-15)19-20(28-21(27)25-19)16-5-2-6-18(22)9-16/h2,5-6,8-12,14,19-20H,7,13H2,1H3,(H,25,27)/t14?,19-,20-/m1/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 107n/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