Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50198695'   

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))	BDBM50198695 (CHEMBL3957321) Show SMILES Clc1ccc(\C=C2/CCCc3c(nn(c23)-c2ccc(Cl)cc2Cl)C(=O)NC2CCN(CC2)c2ccccn2)cc1 Show InChI InChI=1S/C31H28Cl3N5O/c32-22-9-7-20(8-10-22)18-21-4-3-5-25-29(37-39(30(21)25)27-12-11-23(33)19-26(27)34)31(40)36-24-13-16-38(17-14-24)28-6-1-2-15-35-28/h1-2,6-12,15,18-19,24H,3-5,13-14,16-17H2,(H,36,40)/b21-18+	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Janssen Research& Development, L.L.C. Curated by ChEMBL					Assay Description Inverse agonist activity at human cannabinoid receptor 2 expressed in HEK293 cells assessed as increase in forskolin-induced cAMP production preincub...				Bioorg Med Chem Lett 26: 5346-5349 (2016) Article DOI: 10.1016/j.bmcl.2016.09.025 BindingDB Entry DOI: 10.7270/Q2MC9207
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