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 = 'BDBM50059420'   

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))	BDBM50059420 (CHEMBL3393352 | US9156845, 27) Show SMILES COCC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C20H21N5O/c1-26-12-15-5-3-7-25(11-15)20-18-17(10-22-19(18)23-13-24-20)16-6-2-4-14(8-16)9-21/h2,4,6,8,10,13,15H,3,5,7,11-12H2,1H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	95	n/a	n/a	n/a	n/a	7.5	n/a
Pfizer Inc. US Patent					Assay Description LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...				US Patent US9156845 (2015) BindingDB Entry DOI: 10.7270/Q2DB80MW
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50059420 (CHEMBL3393352 | US9156845, 27) Show SMILES COCC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C20H21N5O/c1-26-12-15-5-3-7-25(11-15)20-18-17(10-22-19(18)23-13-24-20)16-6-2-4-14(8-16)9-21/h2,4,6,8,10,13,15H,3,5,7,11-12H2,1H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	95	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged truncated human recombinant LRRK2 using fluorescein-labeled LRRKtide peptide substrate incubated for 2 hrs				J Med Chem 58: 419-32 (2015) Article DOI: 10.1021/jm5014055 BindingDB Entry DOI: 10.7270/Q2XS5X2W
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (Homo sapiens (Human))	BDBM50059420 (CHEMBL3393352 | US9156845, 27) Show SMILES COCC1CCCN(C1)c1ncnc2[nH]cc(-c3cccc(c3)C#N)c12 Show InChI InChI=1S/C20H21N5O/c1-26-12-15-5-3-7-25(11-15)20-18-17(10-22-19(18)23-13-24-20)16-6-2-4-14(8-16)9-21/h2,4,6,8,10,13,15H,3,5,7,11-12H2,1H3,(H,22,23,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	219	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of GST-tagged truncated human recombinant LRRK2 G2019S mutant using fluorescein-labeled LRRKtide peptide substrate incubated for 90 mins				J Med Chem 58: 419-32 (2015) Article DOI: 10.1021/jm5014055 BindingDB Entry DOI: 10.7270/Q2XS5X2W
					More data for this Ligand-Target Pair