Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM50309046'   

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))	BDBM50309046 (CHEMBL591994 | N-(2-((3S,6S)-1-(4-chlorophenyl)-6-...) Show SMILES Clc1ccc(cc1)N1C[C@H](CCNS(=O)(=O)c2ccc(cc2)C#N)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H24Cl3N3O2S/c27-20-4-7-22(8-5-20)32-17-19(3-12-26(32)24-11-6-21(28)15-25(24)29)13-14-31-35(33,34)23-9-1-18(16-30)2-10-23/h1-2,4-11,15,19,26,31H,3,12-14,17H2/t19-,26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	>2.22E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human CB2 receptor				Bioorg Med Chem Lett 20: 1278-83 (2010) Article DOI: 10.1016/j.bmcl.2009.11.075 BindingDB Entry DOI: 10.7270/Q2B27W7Z
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