BDBM174125 US9688669, Example 4

SMILES: Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CC1

InChI Key: InChIKey=BJGADNIXSIHNTK-RTBURBONSA-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 = 174125   

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))	BDBM174125 (US9688669, Example 4) Show SMILES Fc1cccc(c1)[C@H]1OC(=O)N[C@@H]1c1cncc(c1)C#CCC1CC1 |r| Show InChI InChI=1S/C20H17FN2O2/c21-17-6-2-5-15(10-17)19-18(23-20(24)25-19)16-9-14(11-22-12-16)4-1-3-13-7-8-13/h2,5-6,9-13,18-19H,3,7-8H2,(H,23,24)/t18-,19-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	3.60	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