Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50005272'   

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))	BDBM50005272 (CHEMBL3114522) Show SMILES CCn1c(nc2c(cccc12)-c1ccccc1)C(=O)NCc1ccc(cc1)C#N Show InChI InChI=1S/C24H20N4O/c1-2-28-21-10-6-9-20(19-7-4-3-5-8-19)22(21)27-23(28)24(29)26-16-18-13-11-17(15-25)12-14-18/h3-14H,2,16H2,1H3,(H,26,29)	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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