Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50309028'   

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))	BDBM50309028 ((2S,5R)-1-(4-chlorophenyl)-2-(2,4-dichlorophenyl)-...) Show SMILES Clc1ccc(cc1)N1C[C@@H](CC[C@H]1c1ccc(Cl)cc1Cl)S(=O)(=O)N1CCCCC1 |r| Show InChI InChI=1S/C22H25Cl3N2O2S/c23-16-4-7-18(8-5-16)27-15-19(30(28,29)26-12-2-1-3-13-26)9-11-22(27)20-10-6-17(24)14-21(20)25/h4-8,10,14,19,22H,1-3,9,11-13,15H2/t19-,22+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	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
					More data for this Ligand-Target Pair