BDBM174254 US9688669, Example 85

SMILES: OC1(CCCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1

InChI Key: InChIKey=VPCIYBAUBQWOBE-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 = 174254   

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))	BDBM174254 (US9688669, Example 85) Show SMILES OC1(CCCCC1)C#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C22H21FN2O3/c23-18-6-4-5-16(12-18)20-19(25-21(26)28-20)17-11-15(13-24-14-17)7-10-22(27)8-2-1-3-9-22/h4-6,11-14,19-20,27H,1-3,8-9H2,(H,25,26)/t19-,20-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.06E+3	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