Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50427420'   

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))	BDBM50427420 (CHEMBL2326290) Show SMILES CCN(CC)c1ccc(CN(c2ccc(Cl)cc2)S(=O)(=O)c2cccc(C)c2)cc1 Show InChI InChI=1S/C24H27ClN2O2S/c1-4-26(5-2)22-13-9-20(10-14-22)18-27(23-15-11-21(25)12-16-23)30(28,29)24-8-6-7-19(3)17-24/h6-17H,4-5,18H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	866	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Pittsburgh Curated by ChEMBL					Assay Description Displacement of [3H]CP-55,940 from CB1 receptor (unknown origin) after 1 hr by scintillation counting analysis				J Med Chem 56: 2045-58 (2013) Article DOI: 10.1021/jm3017464 BindingDB Entry DOI: 10.7270/Q2BK1DPW
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