Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50116994'   

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))	BDBM50116994 (CHEMBL3613114) Show SMILES Cc1ccc(Cn2cc(CN3CCN(CC3)c3ccc(Cl)cc3)cc2-c2ccc(Cl)c(C)c2)cc1 Show InChI InChI=1S/C30H31Cl2N3/c1-22-3-5-24(6-4-22)20-35-21-25(18-30(35)26-7-12-29(32)23(2)17-26)19-33-13-15-34(16-14-33)28-10-8-27(31)9-11-28/h3-12,17-18,21H,13-16,19-20H2,1-2H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Sassari Curated by ChEMBL					Assay Description Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis				Eur J Med Chem 101: 651-67 (2015) Article DOI: 10.1016/j.ejmech.2015.06.057 BindingDB Entry DOI: 10.7270/Q2KP83ZM
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