BDBM174092 US9688669, Example 2

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

InChI Key: InChIKey=HXCJOMLDEGXAFD-QZTJIDSGSA-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 = 174092   

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))	BDBM174092 (US9688669, Example 2) Show SMILES CCSCC#Cc1cncc(c1)[C@H]1NC(=O)O[C@@H]1c1cccc(F)c1 |r| Show InChI InChI=1S/C19H17FN2O2S/c1-2-25-8-4-5-13-9-15(12-21-11-13)17-18(24-19(23)22-17)14-6-3-7-16(20)10-14/h3,6-7,9-12,17-18H,2,8H2,1H3,(H,22,23)/t17-,18-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	2	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