Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50287931'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50287931 (4-(1,1-Dimethyl-heptyl)-2,6-dimethoxy-3',5'-dimeth...) Show SMILES CCCCCCC(C)(C)c1cc(OC)c(c(OC)c1)-c1cc(C)cc(C)c1 Show InChI InChI=1S/C25H36O2/c1-8-9-10-11-12-25(4,5)21-16-22(26-6)24(23(17-21)27-7)20-14-18(2)13-19(3)15-20/h13-17H,8-12H2,1-7H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human cannabinoid receptor by using radioligand ([3H]-CP-55,940) assay.				Bioorg Med Chem Lett 6: 189-194 (1996) Article DOI: 10.1016/0960-894X(95)00573-C BindingDB Entry DOI: 10.7270/Q2KS6RHX
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