Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50243860'   

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))	BDBM50243860 ((R)-2-(4-ethoxybenzyl)-N,N-diethyl-1-(piperidin-2-...) Show SMILES CCOc1ccc(Cc2nc3cc(ccc3n2C[C@H]2CCCCN2)C(=O)N(CC)CC)cc1 |r| Show InChI InChI=1S/C27H36N4O2/c1-4-30(5-2)27(32)21-12-15-25-24(18-21)29-26(31(25)19-22-9-7-8-16-28-22)17-20-10-13-23(14-11-20)33-6-3/h10-15,18,22,28H,4-9,16-17,19H2,1-3H3/t22-/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	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Montréal Curated by ChEMBL					Assay Description Displacement of [3H]CP55940 from human CB1 receptor				Bioorg Med Chem Lett 18: 3695-700 (2008) Article DOI: 10.1016/j.bmcl.2008.05.073 BindingDB Entry DOI: 10.7270/Q2J38SBN
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