BDBM222775 US9315498, 62

SMILES: CO[C@@H]1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1

InChI Key: InChIKey=PKNWIXBMKGDKEX-GOSISDBHSA-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 = 222775   

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 5a (mGluR5) (Homo sapiens (Human))	BDBM222775 (US9315498, 62) Show SMILES CO[C@@H]1C(=O)N(CC1(C)C)c1ccc(cn1)C#Cc1ccccc1 |r| Show InChI InChI=1S/C20H20N2O2/c1-20(2)14-22(19(23)18(20)24-3)17-12-11-16(13-21-17)10-9-15-7-5-4-6-8-15/h4-8,11-13,18H,14H2,1-3H3/t18-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	37
HOFFMAN-LA ROCHE INC. US Patent					Assay Description A monoclonal HEK-293 cell line stably transfected with a cDNA encoding for the human mGlu5a receptor was generated; for the work with mGlu5 Positive ...				US Patent US9315498 (2016) BindingDB Entry DOI: 10.7270/Q23T9G2X
					More data for this Ligand-Target Pair