Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cannabinoid receptor 2' and Ligand = 'BDBM259980'   

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))	BDBM259980 (US9512132, 16) Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3nnnn3C3CC3)c2n1 Show InChI InChI=1S/C18H23F2N9/c1-17(2,3)16-22-14(27-7-6-18(19,20)10-27)12-8-21-28(15(12)23-16)9-13-24-25-26-29(13)11-4-5-11/h8,11H,4-7,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.600	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 2 (Homo sapiens (Human))	BDBM259980 (US9512132, 16) Show SMILES CC(C)(C)c1nc(N2CCC(F)(F)C2)c2cnn(Cc3nnnn3C3CC3)c2n1 Show InChI InChI=1S/C18H23F2N9/c1-17(2,3)16-22-14(27-7-6-18(19,20)10-27)12-8-21-28(15(12)23-16)9-13-24-25-26-29(13)11-4-5-11/h8,11H,4-7,9-10H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.600	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