BDBM198909 US9221802, Ref. Ex. 20::US9315498, 20

SMILES: CC1(C)COC(=O)N(C1)c1ccc(cn1)C#Cc1ccccc1

InChI Key: InChIKey=PIHMCLNCOGXHBT-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 198909   

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))	BDBM198909 (US9221802, Ref. Ex. 20 | US9315498, 20) Show SMILES CC1(C)COC(=O)N(C1)c1ccc(cn1)C#Cc1ccccc1 Show InChI InChI=1S/C19H18N2O2/c1-19(2)13-21(18(22)23-14-19)17-11-10-16(12-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-12H,13-14H2,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	27	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
Metabotropic glutamate receptor 5a (mGluR5) (Homo sapiens (Human))	BDBM198909 (US9221802, Ref. Ex. 20 | US9315498, 20) Show SMILES CC1(C)COC(=O)N(C1)c1ccc(cn1)C#Cc1ccccc1 Show InChI InChI=1S/C19H18N2O2/c1-19(2)13-21(18(22)23-14-19)17-11-10-16(12-20-17)9-8-15-6-4-3-5-7-15/h3-7,10-12H,13-14H2,1-2H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	27	n/a	n/a	n/a	37
Hoffman-La Roche Inc. US Patent					Assay Description About 24 hrs before an experiment, 5x104 cells/well were seeded in poly-D-lysine coated, black/clear-bottomed 96-well plates. The cells were loaded...				US Patent US9221802 (2015) BindingDB Entry DOI: 10.7270/Q2RF5SVJ
					More data for this Ligand-Target Pair