Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM242479'   

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 2 (Homo sapiens (Human))	BDBM242479 (US9422235, 57) Show SMILES CN(CC1CC1)S(=O)(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F Show InChI InChI=1S/C18H17Cl2F3N2O2S/c1-25(10-11-2-3-11)28(26,27)17-7-5-13(9-14(17)18(21,22)23)24-16-6-4-12(19)8-15(16)20/h4-9,11,24H,2-3,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	175	-39.2	327	n/a	n/a	n/a	n/a	n/a	30
Pharmos Corporation US Patent					Assay Description The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...				US Patent US9422235 (2016) BindingDB Entry DOI: 10.7270/Q2833QX2
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM242479 (US9422235, 57) Show SMILES CN(CC1CC1)S(=O)(=O)c1ccc(Nc2ccc(Cl)cc2Cl)cc1C(F)(F)F Show InChI InChI=1S/C18H17Cl2F3N2O2S/c1-25(10-11-2-3-11)28(26,27)17-7-5-13(9-14(17)18(21,22)23)24-16-6-4-12(19)8-15(16)20/h4-9,11,24H,2-3,10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.75E+3	-32.3	4.20E+3	n/a	n/a	n/a	n/a	n/a	30
Pharmos Corporation US Patent					Assay Description The binding assays were performed by testing the ability of the new compounds to displace the radiolabeled synthetic non-selective cannabinoid agonis...				US Patent US9422235 (2016) BindingDB Entry DOI: 10.7270/Q2833QX2
					More data for this Ligand-Target Pair