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 = 'BDBM384500'   

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))	BDBM384500 (US10590114, No. 187 | US11111235, No. 187 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C)C2(C)CCCO2)ncc1C(F)(F)F Show InChI InChI=1S/C16H21F3N6O/c1-4-20-13-10(16(17,18)19)9-21-14(23-13)22-12-8-11(24-25(12)3)15(2)6-5-7-26-15/h8-9H,4-7H2,1-3H3,(H2,20,21,22,23)	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))	BDBM384500 (US10590114, No. 187 | US11111235, No. 187 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C)C2(C)CCCO2)ncc1C(F)(F)F Show InChI InChI=1S/C16H21F3N6O/c1-4-20-13-10(16(17,18)19)9-21-14(23-13)22-12-8-11(24-25(12)3)15(2)6-5-7-26-15/h8-9H,4-7H2,1-3H3,(H2,20,21,22,23)	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))	BDBM384500 (US10590114, No. 187 | US11111235, No. 187 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C)C2(C)CCCO2)ncc1C(F)(F)F Show InChI InChI=1S/C16H21F3N6O/c1-4-20-13-10(16(17,18)19)9-21-14(23-13)22-12-8-11(24-25(12)3)15(2)6-5-7-26-15/h8-9H,4-7H2,1-3H3,(H2,20,21,22,23)	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))	BDBM384500 (US10590114, No. 187 | US11111235, No. 187 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C)C2(C)CCCO2)ncc1C(F)(F)F Show InChI InChI=1S/C16H21F3N6O/c1-4-20-13-10(16(17,18)19)9-21-14(23-13)22-12-8-11(24-25(12)3)15(2)6-5-7-26-15/h8-9H,4-7H2,1-3H3,(H2,20,21,22,23)	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))	BDBM384500 (US10590114, No. 187 | US11111235, No. 187 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C)C2(C)CCCO2)ncc1C(F)(F)F Show InChI InChI=1S/C16H21F3N6O/c1-4-20-13-10(16(17,18)19)9-21-14(23-13)22-12-8-11(24-25(12)3)15(2)6-5-7-26-15/h8-9H,4-7H2,1-3H3,(H2,20,21,22,23)	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))	BDBM384500 (US10590114, No. 187 | US11111235, No. 187 | US1159...) Show SMILES CCNc1nc(Nc2cc(nn2C)C2(C)CCCO2)ncc1C(F)(F)F Show InChI InChI=1S/C16H21F3N6O/c1-4-20-13-10(16(17,18)19)9-21-14(23-13)22-12-8-11(24-25(12)3)15(2)6-5-7-26-15/h8-9H,4-7H2,1-3H3,(H2,20,21,22,23)	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