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SMILES: CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(F)c(CN2CCOCC2)c1

InChI Key: InChIKey=DSFUIEQGUQISBM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 223559   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527] (Homo sapiens (Human))	BDBM223559 (US9321748, 19) Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(F)c(CN2CCOCC2)c1 Show InChI InChI=1S/C21H25FN6O/c1-14(2)28-13-20(25-26-28)18-10-16(11-24-21(18)23)15-3-4-19(22)17(9-15)12-27-5-7-29-8-6-27/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H2,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...				US Patent US9321748 (2016) BindingDB Entry DOI: 10.7270/Q22R3QHC
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527,G2019S] (Homo sapiens (Human))	BDBM223559 (US9321748, 19) Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(F)c(CN2CCOCC2)c1 Show InChI InChI=1S/C21H25FN6O/c1-14(2)28-13-20(25-26-28)18-10-16(11-24-21(18)23)15-3-4-19(22)17(9-15)12-27-5-7-29-8-6-27/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H2,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	880	n/a	n/a	n/a	n/a	8.5	30
H. Lundbeck A/S; Vernalis (R&D) Ltd. US Patent					Assay Description The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...				US Patent US9321748 (2016) BindingDB Entry DOI: 10.7270/Q22R3QHC
					More data for this Ligand-Target Pair