Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]' and Ligand = 'BDBM384311'   

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 [G2019S] (Homo sapiens (Human))	BDBM384311 (US10590114, No. 15 | US11111235, No. 15 | US115913...) Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F Show InChI InChI=1S/C17H21F3N8/c1-10-12(9-28(25-10)16(2,3)13-6-7-27(5)26-13)23-15-22-8-11(17(18,19)20)14(21-4)24-15/h6-9H,1-5H3,(H2,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
Universita degli Studi di Firenze					Assay Description Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...				Bioorg Med Chem Lett 18: 2567-73 (2008) BindingDB Entry DOI: 10.7270/Q29G5Q4M
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S] (Homo sapiens (Human))	BDBM384311 (US10590114, No. 15 | US11111235, No. 15 | US115913...) Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F Show InChI InChI=1S/C17H21F3N8/c1-10-12(9-28(25-10)16(2,3)13-6-7-27(5)26-13)23-15-22-8-11(17(18,19)20)14(21-4)24-15/h6-9H,1-5H3,(H2,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compounds were prepared by initially diluting to 1 mM with DMSO. 35 μL of reference compound solution, 35 μL of test compound solution, and...				Citation and Details BindingDB Entry DOI: 10.7270/Q2SJ1QJH
					More data for this Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S] (Homo sapiens (Human))	BDBM384311 (US10590114, No. 15 | US11111235, No. 15 | US115913...) Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F Show InChI InChI=1S/C17H21F3N8/c1-10-12(9-28(25-10)16(2,3)13-6-7-27(5)26-13)23-15-22-8-11(17(18,19)20)14(21-4)24-15/h6-9H,1-5H3,(H2,21,22,23,24)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Materials:LRRK2 G2019S enzymeSubstrate (LRRKtide)ATPTR-FRET dilution bufferpLRRKtide antibody384-well assay plateDMSOEnzyme Reaction Conditions50 mM ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2P84G2S
					More data for this Ligand-Target Pair