Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50303840'   

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 2 (Homo sapiens (Human))	BDBM50303840 (4-Chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihyd...) Show SMILES Clc1ccc(cc1)C1=NN(CC1c1ccccc1)C(NS(=O)(=O)c1ccc(Cl)cc1)=NCCCCCCCNc1c2CCCCc2nc2ccccc12 |w:30.34,t:8| Show InChI InChI=1S/C42H44Cl2N6O2S/c43-32-21-19-31(20-22-32)40-37(30-13-5-4-6-14-30)29-50(48-40)42(49-53(51,52)34-25-23-33(44)24-26-34)46-28-12-3-1-2-11-27-45-41-35-15-7-9-17-38(35)47-39-18-10-8-16-36(39)41/h4-7,9,13-15,17,19-26,37H,1-3,8,10-12,16,18,27-29H2,(H,45,47)(H,46,49)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Solvay Pharma Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells				J Med Chem 53: 1338-46 (2010) Article DOI: 10.1021/jm901614b BindingDB Entry DOI: 10.7270/Q2WQ03WT
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