Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50309032'   

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))	BDBM50309032 ((3R,6S)-N-(4-chlorobenzyl)-1-(4-chlorophenyl)-6-(2...) Show SMILES Clc1ccc(CNC(=O)[C@@H]2CC[C@H](N(C2)c2ccc(Cl)cc2)c2ccc(Cl)cc2Cl)cc1 |r| Show InChI InChI=1S/C25H22Cl4N2O/c26-18-4-1-16(2-5-18)14-30-25(32)17-3-12-24(22-11-8-20(28)13-23(22)29)31(15-17)21-9-6-19(27)7-10-21/h1-2,4-11,13,17,24H,3,12,14-15H2,(H,30,32)/t17-,24+/m1/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	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