BDBM198918 US9221802, Ex. 4

SMILES: Fc1ccc(F)c(c1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2COC1=O

InChI Key: InChIKey=SZIOQXJSQLZZSF-CRAIPNDOSA-N

Data: 1 EC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 198918   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Metabotropic glutamate receptor 5a (mGluR5) (Homo sapiens (Human))	BDBM198918 (US9221802, Ex. 4) Show SMILES Fc1ccc(F)c(c1)C#Cc1ccc(nc1)N1[C@@H]2CCC[C@@H]2COC1=O |r| Show InChI InChI=1S/C20H16F2N2O2/c21-16-7-8-17(22)14(10-16)6-4-13-5-9-19(23-11-13)24-18-3-1-2-15(18)12-26-20(24)25/h5,7-11,15,18H,1-3,12H2/t15-,18-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	15	n/a	n/a	n/a	37
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