BDBM50160115 5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4-difluoro-benzyloxy)-nicotinic acid methyl ester::CHEMBL179901

SMILES: COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=YUWBNZDQMZVVJU-UHFFFAOYSA-N

Data: 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 1 hit for monomerid = 50160115   

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))	BDBM50160115 (5-(4-Chloro-phenyl)-6-(2,4-dichloro-phenyl)-2-(3,4...) Show SMILES COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccc(F)c(F)c1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H16Cl3F2NO3/c1-34-26(33)20-12-19(15-3-5-16(27)6-4-15)24(18-8-7-17(28)11-21(18)29)32-25(20)35-13-14-2-9-22(30)23(31)10-14/h2-12H,13H2,1H3	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	1.30	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