BDBM50160113 2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-phenyl)-nicotinic acid methyl ester::CHEMBL359865

SMILES: COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl

InChI Key: InChIKey=UTWXABYUOACVIT-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 = 50160113   

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))	BDBM50160113 (2-Benzyloxy-5-(4-chloro-phenyl)-6-(2,4-dichloro-ph...) Show SMILES COC(=O)c1cc(-c2ccc(Cl)cc2)c(nc1OCc1ccccc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C26H18Cl3NO3/c1-32-26(31)22-14-21(17-7-9-18(27)10-8-17)24(20-12-11-19(28)13-23(20)29)30-25(22)33-15-16-5-3-2-4-6-16/h2-14H,15H2,1H3	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	3.5	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