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SMILES: O=C1OC[C@H]2CCC[C@H]2N1c1ccc(cn1)C#Cc1ccccc1

InChI Key: InChIKey=GZQCCALSGWJNEW-QZTJIDSGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 198915   
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))		BDBM198915
PNG
(US9221802, Ex. 1)
Show SMILES O=C1OC[C@H]2CCC[C@H]2N1c1ccc(cn1)C#Cc1ccccc1 |r|
Show InChI InChI=1S/C20H18N2O2/c23-20-22(18-8-4-7-17(18)14-24-20)19-12-11-16(13-21-19)10-9-15-5-2-1-3-6-15/h1-3,5-6,11-13,17-18H,4,7-8,14H2/t17-,18-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/an/an/a 22n/an/an/a37



Hoffman-La Roche Inc.

US Patent


Assay Description
About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded...

US Patent US9221802 (2015)


BindingDB Entry DOI: 10.7270/Q2RF5SVJ
More data for this
Ligand-Target Pair