BDBM174127 US9688669, Example 5

SMILES: CC(C)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1

InChI Key: InChIKey=GGRYOBKQLJOSHK-WOJBJXKFSA-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 = 174127   

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))	BDBM174127 (US9688669, Example 5) Show SMILES CC(C)CCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C21H21FN2O2/c1-14(2)6-3-4-7-15-10-17(13-23-12-15)19-20(26-21(25)24-19)16-8-5-9-18(22)11-16/h5,8-14,19-20H,3,6H2,1-2H3,(H,24,25)/t19-,20-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	4.70	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