Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50156102'   

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))	BDBM50156102 (CHEMBL3781953) Show SMILES COc1ccc2-c3nn(CCN4CCN(CC4)C(=O)c4cccs4)cc3C(C)(C)Oc2c1 Show InChI InChI=1S/C24H28N4O3S/c1-24(2)19-16-28(25-22(19)18-7-6-17(30-3)15-20(18)31-24)13-10-26-8-11-27(12-9-26)23(29)21-5-4-14-32-21/h4-7,14-16H,8-13H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>4.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Instituto de Qu£mica M£dica Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 EBNA cells after 90 mins by liquid scintillation spectrophotometer				J Med Chem 59: 1840-53 (2016) Article DOI: 10.1021/acs.jmedchem.5b01331 BindingDB Entry DOI: 10.7270/Q2BK1F8X
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