Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 1' and Ligand = 'BDBM259971'   

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))	BDBM259971 (US9512132, 7) Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 Show InChI InChI=1S/C21H22F5N5/c1-19(2,3)18-28-16(30-9-8-20(22,23)12-30)14-10-27-31(17(14)29-18)11-13-6-4-5-7-15(13)21(24,25)26/h4-7,10H,8-9,11-12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50,000 cells per well in a black 96 well plate with fl...				US Patent US9694012 (2017) BindingDB Entry DOI: 10.7270/Q2VX0DPM
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Homo sapiens (Human))	BDBM259971 (US9512132, 7) Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3ccccc3C(F)(F)F)c2n1 Show InChI InChI=1S/C21H22F5N5/c1-19(2,3)18-28-16(30-9-8-20(22,23)12-30)14-10-27-31(17(14)29-18)11-13-6-4-5-7-15(13)21(24,25)26/h4-7,10H,8-9,11-12H2,1-3H3	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	37
Hoffmann-La Roche Inc. US Patent					Assay Description CHO cells expressing human CB1 or CB2 receptors are seeded 17-24 hours prior to the experiment 50.000 cells per well in a black 96 well plate with fl...				US Patent US9512132 (2016) BindingDB Entry DOI: 10.7270/Q2P26X39
					More data for this Ligand-Target Pair