Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50334017'   

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))	BDBM50334017 (2-methyl-4-(3-(4-(3-(trifluoromethyl)phenyl)-1H-im...) Show SMILES CC1CN(Cc2cccc(c2)-c2nc(c[nH]2)-c2cccc(c2)C(F)(F)F)CCO1 Show InChI InChI=1S/C22H22F3N3O/c1-15-13-28(8-9-29-15)14-16-4-2-6-18(10-16)21-26-12-20(27-21)17-5-3-7-19(11-17)22(23,24)25/h2-7,10-12,15H,8-9,13-14H2,1H3,(H,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Merck Research Laboratory Curated by ChEMBL					Assay Description Agonist activity at human cloned CB1 receptor expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation				Bioorg Med Chem Lett 21: 182-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.044 BindingDB Entry DOI: 10.7270/Q20P108G
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