Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2' and Ligand = 'BDBM50398660'   

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
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398660 (CHEMBL2178142 | US8802674, 61) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(OC)n1)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H19ClN4O4/c1-24-14-9-11(16(23)22-5-7-26-8-6-22)3-4-13(14)20-17-19-10-12(18)15(21-17)25-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of LRRK2 using FAM-LRRKtide as substrate after 120 mins by microfluidic capillary electrophoresis assay				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398660 (CHEMBL2178142 | US8802674, 61) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(OC)n1)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H19ClN4O4/c1-24-14-9-11(16(23)22-5-7-26-8-6-22)3-4-13(14)20-17-19-10-12(18)15(21-17)25-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	10.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. ...				US Patent US8802674 (2014) BindingDB Entry DOI: 10.7270/Q2GF0S6N
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50398660 (CHEMBL2178142 | US8802674, 61) Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(OC)n1)C(=O)N1CCOCC1 Show InChI InChI=1S/C17H19ClN4O4/c1-24-14-9-11(16(23)22-5-7-26-8-6-22)3-4-13(14)20-17-19-10-12(18)15(21-17)25-2/h3-4,9-10H,5-8H2,1-2H3,(H,19,20,21)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inhibition of autophosphorylation of LRRK2 in human HEK293 cells				J Med Chem 55: 9416-33 (2012) Article DOI: 10.1021/jm301020q BindingDB Entry DOI: 10.7270/Q2P55PN7
					More data for this Ligand-Target Pair