BDBM50160114 2-(benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinonitrile::2-Benzyloxy-6-(4-chloro-phenyl)-5-phenyl-nicotinonitrile::CHEMBL181088

SMILES: Clc1ccc(cc1)-c1nc(OCc2ccccc2)c(cc1-c1ccccc1)C#N

InChI Key: InChIKey=ALQIYEHKHMRAOK-UHFFFAOYSA-N

Data: 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 3 hits for monomerid = 50160114   

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
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50160114 (2-(benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinon...) Show SMILES Clc1ccc(cc1)-c1nc(OCc2ccccc2)c(cc1-c1ccccc1)C#N Show InChI InChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibitory concentration tested against human Cannabinoid receptor 1 (hCB1)				Bioorg Med Chem Lett 15: 645-51 (2005) Article DOI: 10.1016/j.bmcl.2004.11.031 BindingDB Entry DOI: 10.7270/Q2X929SW
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50160114 (2-(benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinon...) Show SMILES Clc1ccc(cc1)-c1nc(OCc2ccccc2)c(cc1-c1ccccc1)C#N Show InChI InChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Korea Research Institute of Chemical Technology Curated by ChEMBL					Assay Description Antagonist activity against human recombinant cannabinoid-1 receptor				Bioorg Med Chem Lett 19: 2990-6 (2009) Article DOI: 10.1016/j.bmcl.2009.04.037 BindingDB Entry DOI: 10.7270/Q2CN7543
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50160114 (2-(benzyloxy)-6-(4-chlorophenyl)-5-phenylnicotinon...) Show SMILES Clc1ccc(cc1)-c1nc(OCc2ccccc2)c(cc1-c1ccccc1)C#N Show InChI InChI=1S/C25H17ClN2O/c26-22-13-11-20(12-14-22)24-23(19-9-5-2-6-10-19)15-21(16-27)25(28-24)29-17-18-7-3-1-4-8-18/h1-15H,17H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Maximal response (3000 nM) at human cannabinoid receptor 1 (hCB1)				Bioorg Med Chem Lett 15: 645-51 (2005) Article DOI: 10.1016/j.bmcl.2004.11.031 BindingDB Entry DOI: 10.7270/Q2X929SW
					More data for this Ligand-Target Pair