Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50213481'   

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))	BDBM50213481 (CHEMBL246476 | N-ethyl-5,6-dip-tolylpyrazine-2-car...) Show SMILES CCNC(=O)c1cnc(-c2ccc(C)cc2)c(n1)-c1ccc(C)cc1 Show InChI InChI=1S/C21H21N3O/c1-4-22-21(25)18-13-23-19(16-9-5-14(2)6-10-16)20(24-18)17-11-7-15(3)8-12-17/h5-13H,4H2,1-3H3,(H,22,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 17: 3978-82 (2007) Article DOI: 10.1016/j.bmcl.2007.04.087 BindingDB Entry DOI: 10.7270/Q2FN15XR
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