Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50243961'   

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))	BDBM50243961 (2-(4-isopropoxybenzyl)-N,N-diethyl-1-isopentyl-1H-...) Show SMILES CCN(CC)C(=O)c1ccc2n(CCC(C)C)c(Cc3ccc(OC(C)C)cc3)nc2c1 Show InChI InChI=1S/C27H37N3O2/c1-7-29(8-2)27(31)22-11-14-25-24(18-22)28-26(30(25)16-15-19(3)4)17-21-9-12-23(13-10-21)32-20(5)6/h9-14,18-20H,7-8,15-17H2,1-6H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.68E+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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