BDBM50334123 (3-((3-aminophenyl)ethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone::CHEMBL1645004

SMILES: Nc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1

InChI Key: InChIKey=CBLQQYHSQLWVKU-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 = 50334123   

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))	BDBM50334123 ((3-((3-aminophenyl)ethynyl)phenyl)(4-(pyridin-2-yl...) Show SMILES Nc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C24H22N4O/c25-22-8-4-6-20(18-22)11-10-19-5-3-7-21(17-19)24(29)28-15-13-27(14-16-28)23-9-1-2-12-26-23/h1-9,12,17-18H,13-16,25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor (Rattus norvegicus (Rat))	BDBM50334123 ((3-((3-aminophenyl)ethynyl)phenyl)(4-(pyridin-2-yl...) Show SMILES Nc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C24H22N4O/c25-22-8-4-6-20(18-22)11-10-19-5-3-7-21(17-19)24(29)28-15-13-27(14-16-28)23-9-1-2-12-26-23/h1-9,12,17-18H,13-16,25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay				Bioorg Med Chem Lett 21: 195-9 (2010) Article DOI: 10.1016/j.bmcl.2010.11.038 BindingDB Entry DOI: 10.7270/Q2GQ6Z02
					More data for this Ligand-Target Pair