Compile Data Set for Download or QSAR

Found 6 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]' and Ligand = 'BDBM384406'   

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))	BDBM384406 (US10590114, No. 116 | US11111235, No. 92 | US11591...) Show SMILES CCNc1nc(Nc2cnn(C3CCCN(CC(F)F)C3)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C18H24F5N7/c1-3-24-16-13(18(21,22)23)7-25-17(28-16)27-14-8-26-30(11(14)2)12-5-4-6-29(9-12)10-15(19)20/h7-8,12,15H,3-6,9-10H2,1-2H3,(H2,24,25,27,28)	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))	BDBM384406 (US10590114, No. 116 | US11111235, No. 92 | US11591...) Show SMILES CCNc1nc(Nc2cnn(C3CCCN(CC(F)F)C3)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C18H24F5N7/c1-3-24-16-13(18(21,22)23)7-25-17(28-16)27-14-8-26-30(11(14)2)12-5-4-6-29(9-12)10-15(19)20/h7-8,12,15H,3-6,9-10H2,1-2H3,(H2,24,25,27,28)	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))	BDBM384406 (US10590114, No. 116 | US11111235, No. 92 | US11591...) Show SMILES CCNc1nc(Nc2cnn(C3CCCN(CC(F)F)C3)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C18H24F5N7/c1-3-24-16-13(18(21,22)23)7-25-17(28-16)27-14-8-26-30(11(14)2)12-5-4-6-29(9-12)10-15(19)20/h7-8,12,15H,3-6,9-10H2,1-2H3,(H2,24,25,27,28)	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))	BDBM384406 (US10590114, No. 116 | US11111235, No. 92 | US11591...) Show SMILES CCNc1nc(Nc2cnn(C3CCCN(CC(F)F)C3)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C18H24F5N7/c1-3-24-16-13(18(21,22)23)7-25-17(28-16)27-14-8-26-30(11(14)2)12-5-4-6-29(9-12)10-15(19)20/h7-8,12,15H,3-6,9-10H2,1-2H3,(H2,24,25,27,28)	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
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S] (Homo sapiens (Human))	BDBM384406 (US10590114, No. 116 | US11111235, No. 92 | US11591...) Show SMILES CCNc1nc(Nc2cnn(C3CCCN(CC(F)F)C3)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C18H24F5N7/c1-3-24-16-13(18(21,22)23)7-25-17(28-16)27-14-8-26-30(11(14)2)12-5-4-6-29(9-12)10-15(19)20/h7-8,12,15H,3-6,9-10H2,1-2H3,(H2,24,25,27,28)	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))	BDBM384406 (US10590114, No. 116 | US11111235, No. 92 | US11591...) Show SMILES CCNc1nc(Nc2cnn(C3CCCN(CC(F)F)C3)c2C)ncc1C(F)(F)F Show InChI InChI=1S/C18H24F5N7/c1-3-24-16-13(18(21,22)23)7-25-17(28-16)27-14-8-26-30(11(14)2)12-5-4-6-29(9-12)10-15(19)20/h7-8,12,15H,3-6,9-10H2,1-2H3,(H2,24,25,27,28)	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