BDBM50231755 6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinolin-5-one::CHEMBL253814

SMILES: CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1

InChI Key: InChIKey=GXHZJFOEDFUGMK-UHFFFAOYSA-N

Data: 1 KI  3 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 4 hits for monomerid = 50231755   

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 (Rattus norvegicus (Rat))	BDBM50231755 (6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinol...) Show SMILES CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1 Show InChI InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	51	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 (Homo sapiens (Human))	BDBM50231755 (6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinol...) Show SMILES CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1 Show InChI InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Brain Science Institute Curated by ChEMBL					Assay Description Modulation of mGluR5 (unknown origin)				Bioorg Med Chem Lett 23: 1472-6 (2013) Article DOI: 10.1016/j.bmcl.2012.12.056 BindingDB Entry DOI: 10.7270/Q2DR2WVN
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50231755 (6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinol...) Show SMILES CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1 Show InChI InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	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 (Homo sapiens (Human))	BDBM50231755 (6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinol...) Show SMILES CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1 Show InChI InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merz Pharmaceuticals GmbH Curated by ChEMBL					Assay Description Negative allosteric modulation of human mGluR5 expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular cAMP accumulation...				Bioorg Med Chem Lett 23: 4493-500 (2013) Article DOI: 10.1016/j.bmcl.2013.06.049 BindingDB Entry DOI: 10.7270/Q2KD20B8
					More data for this Ligand-Target Pair