BDBM50231738 7,7-dimethyl-2-pyridin-2-ylethynyl-7,8-dihydro-6H-quinolin-5-one::CHEMBL400367

SMILES: CC1(C)CC(=O)c2ccc(nc2C1)C#Cc1ccccn1

InChI Key: InChIKey=SCPSZEPCKKTLAC-UHFFFAOYSA-N

Data: 1 KI  1 IC50

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 = 50231738   

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 (Rattus norvegicus (Rat))	BDBM50231738 (7,7-dimethyl-2-pyridin-2-ylethynyl-7,8-dihydro-6H-...) Show SMILES CC1(C)CC(=O)c2ccc(nc2C1)C#Cc1ccccn1 Show InChI InChI=1S/C18H16N2O/c1-18(2)11-16-15(17(21)12-18)9-8-14(20-16)7-6-13-5-3-4-10-19-13/h3-5,8-10H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat mGluR5				J Med Chem 51: 634-47 (2008) Article DOI: 10.1021/jm0611298 BindingDB Entry DOI: 10.7270/Q2QC04B2
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50231738 (7,7-dimethyl-2-pyridin-2-ylethynyl-7,8-dihydro-6H-...) Show SMILES CC1(C)CC(=O)c2ccc(nc2C1)C#Cc1ccccn1 Show InChI InChI=1S/C18H16N2O/c1-18(2)11-16-15(17(21)12-18)9-8-14(20-16)7-6-13-5-3-4-10-19-13/h3-5,8-10H,11-12H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from rat mGluR5				J Med Chem 51: 634-47 (2008) Article DOI: 10.1021/jm0611298 BindingDB Entry DOI: 10.7270/Q2QC04B2
					More data for this Ligand-Target Pair