Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM242430'   

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))	BDBM242430 (US9422235, 3) Show SMILES FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)NCC1CC1 Show InChI InChI=1S/C17H15Cl2F3N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	180	-39.1	313	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 1 (Homo sapiens (Human))	BDBM242430 (US9422235, 3) Show SMILES FC(F)(F)c1cc(Nc2ccc(Cl)cc2Cl)ccc1S(=O)(=O)NCC1CC1 Show InChI InChI=1S/C17H15Cl2F3N2O2S/c18-11-3-5-15(14(19)7-11)24-12-4-6-16(13(8-12)17(20,21)22)27(25,26)23-9-10-1-2-10/h3-8,10,23-24H,1-2,9H2	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.00E+3	-32.1	6.00E+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