BDBM174278 US9688669, Example 111

SMILES: Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cc(cnc1F)C#CC1CC(F)(F)C1

InChI Key: InChIKey=AWQGZBMKGAQOFV-IAGOWNOFSA-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 = 174278   

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 5 (mGluR5) (Homo sapiens (Human))	BDBM174278 (US9688669, Example 111) Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cc(cnc1F)C#CC1CC(F)(F)C1 |r| Show InChI InChI=1S/C20H14F4N2O2/c21-14-3-1-2-13(7-14)17-16(26-19(27)28-17)15-6-11(10-25-18(15)22)4-5-12-8-20(23,24)9-12/h1-3,6-7,10,12,16-17H,8-9H2,(H,26,27)/t16-,17-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	104	n/a	n/a	n/a	n/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