Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50215908'   

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))	BDBM50215908 ((3R,3aS,4S,4aR,8aS,9aR,E)-3-methyl-4-(2-(5-(pyrrol...) Show SMILES C[C@H]1OC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[C@H](\C=C\c3ccc(cn3)N3CCCC3)[C@H]12 Show InChI InChI=1S/C24H32N2O2/c1-16-23-21(20-7-3-2-6-17(20)14-22(23)24(27)28-16)11-9-18-8-10-19(15-25-18)26-12-4-5-13-26/h8-11,15-17,20-23H,2-7,12-14H2,1H3/b11-9+/t16-,17+,20-,21+,22-,23+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	487	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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