BDBM50334109 (4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyridin-2-yl)piperazin-1-yl)methanone::CHEMBL1645019

SMILES: COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccccn1

InChI Key: InChIKey=IHELWHOGIXQUBH-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 = 50334109   

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))	BDBM50334109 ((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyrid...) Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C24H22N4O2/c1-30-22-11-9-20(18-19(22)8-10-21-6-2-4-12-25-21)24(29)28-16-14-27(15-17-28)23-7-3-5-13-26-23/h2-7,9,11-13,18H,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	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))	BDBM50334109 ((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyrid...) Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C24H22N4O2/c1-30-22-11-9-20(18-19(22)8-10-21-6-2-4-12-25-21)24(29)28-16-14-27(15-17-28)23-7-3-5-13-26-23/h2-7,9,11-13,18H,14-17H2,1H3	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	8	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