Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50383395'   

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))	BDBM50383395 (CHEMBL2030747) Show SMILES CN(C)c1ccc(NC(=O)NC2(CCN(CC2)C(=O)c2nn(c(c2C)-c2ccc(Cl)cc2)-c2ccc(Cl)cc2Cl)c2ccccc2)cc1 Show InChI InChI=1S/C37H35Cl3N6O2/c1-24-33(43-46(32-18-13-28(39)23-31(32)40)34(24)25-9-11-27(38)12-10-25)35(47)45-21-19-37(20-22-45,26-7-5-4-6-8-26)42-36(48)41-29-14-16-30(17-15-29)44(2)3/h4-18,23H,19-22H2,1-3H3,(H2,41,42,48)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells				J Med Chem 55: 2820-34 (2012) Article DOI: 10.1021/jm201731z BindingDB Entry DOI: 10.7270/Q2P2704Z
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