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SMILES: CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1

InChI Key: InChIKey=BANSICLGZKNWNQ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 223553   

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,G2019S] (Homo sapiens (Human))	BDBM223553 (US9321748, 13) Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	280	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 (Homo sapiens (Human))	BDBM223553 (US9321748, 13) Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...				Bioorg Med Chem Lett 27: 4500-4505 (2017) Article DOI: 10.1016/j.bmcl.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SF2ZMN
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM223553 (US9321748, 13) Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	280	n/a	n/a	n/a	n/a	n/a	n/a
H. Lundbeck A/S, Ottiliavej 9, 2500 Valby, Denmark. Electronic address: gsm@lundbeck.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human wild type GST-tagged LRRK2 (970 to 2527 residues) preincubated for 30 mins followed by fluorescein-LRRKtide substrate...				Bioorg Med Chem Lett 27: 4500-4505 (2017) Article DOI: 10.1016/j.bmcl.2017.07.072 BindingDB Entry DOI: 10.7270/Q2SF2ZMN
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [970-2527] (Homo sapiens (Human))	BDBM223553 (US9321748, 13) Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1 Show InChI InChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	340	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