Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50309051'   

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 1 (Homo sapiens (Human))	BDBM50309051 (CHEMBL589169 | N-(((3R,6S)-1-(4-chlorophenyl)-6-(2...) Show SMILES Clc1ccc(cc1)N1C[C@H](CNS(=O)(=O)C2CC2)CC[C@H]1c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C21H23Cl3N2O2S/c22-15-2-5-17(6-3-15)26-13-14(12-25-29(27,28)18-7-8-18)1-10-21(26)19-9-4-16(23)11-20(19)24/h2-6,9,11,14,18,21,25H,1,7-8,10,12-13H2/t14-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	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 CB1 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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