Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50005289'   

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))	BDBM50005289 (CHEMBL3114528) Show SMILES OCC1(CNC(=O)c2nc3c(cccc3[nH]2)-c2ccccc2)CCCCC1 Show InChI InChI=1S/C22H25N3O2/c26-15-22(12-5-2-6-13-22)14-23-21(27)20-24-18-11-7-10-17(19(18)25-20)16-8-3-1-4-9-16/h1,3-4,7-11,26H,2,5-6,12-15H2,(H,23,27)(H,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>1.70E+4	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Agonist activity at human CB1 receptor expressed in CHO-K1 cells assessed as forskolin-induced cAMP accumulation after 1 hr				Bioorg Med Chem Lett 24: 1218-21 (2014) Article DOI: 10.1016/j.bmcl.2013.12.068 BindingDB Entry DOI: 10.7270/Q2FJ2J9K
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