Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50215910'   

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))	BDBM50215910 ((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyridi...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)-c3cccnc3)[C@H]12 Show InChI InChI=1S/C25H28N2O2/c1-16-24-22(21-7-3-2-5-17(21)13-23(24)25(28)29-16)11-10-20-9-8-19(15-27-20)18-6-4-12-26-14-18/h4,6,8-12,14-17,21-24H,2-3,5,7,13H2,1H3/b11-10+/t16-,17+,21-,22+,23-,24+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Binding affinity to cannabinoid CB2 receptor				Bioorg Med Chem Lett 17: 4509-13 (2007) Article DOI: 10.1016/j.bmcl.2007.06.002 BindingDB Entry DOI: 10.7270/Q2RN37J6
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