Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM50213896'   

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 (Mus musculus (Mouse))	BDBM50213896 (3-[(Z)-4-trifluoromethoxy-phenylimino]-2-thia-4-az...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H21F3N2OS3/c1-26-16(25)23-11-17(9-3-2-4-10-17)12-27-15(23)22-13-5-7-14(8-6-13)24-18(19,20)21/h5-8H,2-4,9-12H2,1H3/b22-15-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co. Ltd Curated by ChEMBL					Assay Description Binding affinity to mouse CB1 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM50213896 (3-[(Z)-4-trifluoromethoxy-phenylimino]-2-thia-4-az...) Show SMILES CSC(=S)N1CC2(CCCCC2)CS\C1=N/c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C18H21F3N2OS3/c1-26-16(25)23-11-17(9-3-2-4-10-17)12-27-15(23)22-13-5-7-14(8-6-13)24-18(19,20)21/h5-8H,2-4,9-12H2,1H3/b22-15-	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shionogi & Co. Ltd Curated by ChEMBL					Assay Description Binding affinity to human CB1 receptor				Bioorg Med Chem Lett 17: 3925-9 (2007) Article DOI: 10.1016/j.bmcl.2007.04.099 BindingDB Entry DOI: 10.7270/Q2RX9BR5
					More data for this Ligand-Target Pair