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Compile Data Set for Download or QSAR

Found 269 hits of ph data with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223541
PNG
(US9321748, 1)
Show SMILES CC(C)c1nnc(o1)-c1cc(cnc1N)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H17N5O/c1-10(2)17-22-23-18(24-17)14-8-13(9-21-16(14)19)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H3,(H2,19,21)
PDB

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PC sid
UniChem
US Patent
n/an/a 910n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223542
PNG
(US9321748, 2)
Show SMILES Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc2[nH]ccc2c1
Show InChI InChI=1S/C18H15N5O/c19-16-14(18-23-22-17(24-18)10-1-2-10)8-13(9-21-16)11-3-4-15-12(7-11)5-6-20-15/h3-10,20H,1-2H2,(H2,19,21)
PDB

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UniChem
US Patent
n/an/a 1.00E+3n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223543
PNG
(US9321748, 3)
Show SMILES CN1CCc2cc(ccc12)-c1cnc(N)c(c1)-c1nnc(o1)C1CC1
Show InChI InChI=1S/C19H19N5O/c1-24-7-6-13-8-12(4-5-16(13)24)14-9-15(17(20)21-10-14)19-23-22-18(25-19)11-2-3-11/h4-5,8-11H,2-3,6-7H2,1H3,(H2,20,21)
PDB

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US Patent
n/an/a 710n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223544
PNG
(US9321748, 4)
Show SMILES CN1CCC(CC1)c1nnc(o1)-c1cc(cnc1N)-c1ccc(C)cc1
Show InChI InChI=1S/C20H23N5O/c1-13-3-5-14(6-4-13)16-11-17(18(21)22-12-16)20-24-23-19(26-20)15-7-9-25(2)10-8-15/h3-6,11-12,15H,7-10H2,1-2H3,(H2,21,22)
PDB

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n/an/a 860n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223545
PNG
(US9321748, 5)
Show SMILES CN1CCc2cc(ccc12)-c1cnc(N)c(c1)-c1nnc(o1)C1CCNCC1
Show InChI InChI=1S/C21H24N6O/c1-27-9-6-15-10-14(2-3-18(15)27)16-11-17(19(22)24-12-16)21-26-25-20(28-21)13-4-7-23-8-5-13/h2-3,10-13,23H,4-9H2,1H3,(H2,22,24)
PDB

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US Patent
n/an/a 380n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223546
PNG
(US9321748, 6)
Show SMILES Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)16-5-6-16)11-17(12-23-19)15-3-1-14(2-4-15)13-26-7-9-27-10-8-26/h1-4,11-12,16H,5-10,13H2,(H2,22,23)
PDB

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US Patent
n/an/a 390n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223547
PNG
(US9321748, 7)
Show SMILES COc1cccc(c1)-c1cnc(N)c(c1)-c1nnc(o1)C1CCNCC1
Show InChI InChI=1S/C19H21N5O2/c1-25-15-4-2-3-13(9-15)14-10-16(17(20)22-11-14)19-24-23-18(26-19)12-5-7-21-8-6-12/h2-4,9-12,21H,5-8H2,1H3,(H2,20,22)
PDB

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US Patent
n/an/a 1.00E+3n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223548
PNG
(US9321748, 8)
Show SMILES COc1cccc(c1)-c1cnc(N)c(c1)-c1nnc(o1)C1CCN(C)CC1
Show InChI InChI=1S/C20H23N5O2/c1-25-8-6-13(7-9-25)19-23-24-20(27-19)17-11-15(12-22-18(17)21)14-4-3-5-16(10-14)26-2/h3-5,10-13H,6-9H2,1-2H3,(H2,21,22)
PDB

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US Patent
n/an/a 880n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223549
PNG
(US9321748, 9)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc2n(C)ccc2c1
Show InChI InChI=1S/C19H20N6/c1-12(2)25-11-17(22-23-25)16-9-15(10-21-19(16)20)13-4-5-18-14(8-13)6-7-24(18)3/h4-12H,1-3H3,(H2,20,21)
PDB

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US Patent
n/an/a 540n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223550
PNG
(US9321748, 10)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc2N(C)CCc2c1
Show InChI InChI=1S/C19H22N6/c1-12(2)25-11-17(22-23-25)16-9-15(10-21-19(16)20)13-4-5-18-14(8-13)6-7-24(18)3/h4-5,8-12H,6-7H2,1-3H3,(H2,20,21)
PDB

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US Patent
n/an/a 350n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223551
PNG
(US9321748, 11)
Show SMILES CC(C)n1cc(nn1)-c1nc(cnc1N)-c1ccc2N(C)CCc2c1
Show InChI InChI=1S/C18H21N7/c1-11(2)25-10-15(22-23-25)17-18(19)20-9-14(21-17)12-4-5-16-13(8-12)6-7-24(16)3/h4-5,8-11H,6-7H2,1-3H3,(H2,19,20)
PDB

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US Patent
n/an/a 340n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223552
PNG
(US9321748, 12)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
PDB

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n/an/a 160n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223553
PNG
(US9321748, 13)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)N1CCOCC1
Show InChI InChI=1S/C20H24N6O/c1-14(2)26-13-19(23-24-26)18-11-16(12-22-20(18)21)15-3-5-17(6-4-15)25-7-9-27-10-8-25/h3-6,11-14H,7-10H2,1-2H3,(H2,21,22)
PDB

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US Patent
n/an/a 280n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223554
PNG
(US9321748, 14)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CCN2CCOCC2)cc1
Show InChI InChI=1S/C22H28N6O/c1-16(2)28-15-21(25-26-28)20-13-19(14-24-22(20)23)18-5-3-17(4-6-18)7-8-27-9-11-29-12-10-27/h3-6,13-16H,7-12H2,1-2H3,(H2,23,24)
PDB

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n/an/a 340n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223555
PNG
(US9321748, 15)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)c(F)c1
Show InChI InChI=1S/C21H25FN6O/c1-14(2)28-13-20(25-26-28)18-9-17(11-24-21(18)23)15-3-4-16(19(22)10-15)12-27-5-7-29-8-6-27/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H2,23,24)
PDB

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US Patent
n/an/a 370n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223556
PNG
(US9321748, 16)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(C(=O)N2CCOCC2)c(F)c1
Show InChI InChI=1S/C21H23FN6O2/c1-13(2)28-12-19(25-26-28)17-9-15(11-24-20(17)23)14-3-4-16(18(22)10-14)21(29)27-5-7-30-8-6-27/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24)
PDB

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n/an/a 510n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223557
PNG
(US9321748, 17)
Show SMILES COc1cc(ccc1C(=O)N1CCOCC1)-c1cnc(N)c(c1)-c1cn(nn1)C(C)C
Show InChI InChI=1S/C22H26N6O3/c1-14(2)28-13-19(25-26-28)18-10-16(12-24-21(18)23)15-4-5-17(20(11-15)30-3)22(29)27-6-8-31-9-7-27/h4-5,10-14H,6-9H2,1-3H3,(H2,23,24)
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n/an/a 95n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223558
PNG
(US9321748, 18)
Show SMILES COc1cc(ccc1CN1CCOCC1)-c1cnc(N)c(c1)-c1cn(nn1)C(C)C
Show InChI InChI=1S/C22H28N6O2/c1-15(2)28-14-20(25-26-28)19-10-18(12-24-22(19)23)16-4-5-17(21(11-16)29-3)13-27-6-8-30-9-7-27/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H2,23,24)
PDB

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n/an/a 86n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223559
PNG
(US9321748, 19)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(F)c(CN2CCOCC2)c1
Show InChI InChI=1S/C21H25FN6O/c1-14(2)28-13-20(25-26-28)18-10-16(11-24-21(18)23)15-3-4-19(22)17(9-15)12-27-5-7-29-8-6-27/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H2,23,24)
PDB

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n/an/a 880n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223560
PNG
(US9321748, 20)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(C(=O)N2CCOCC2)c(C)c1
Show InChI InChI=1S/C22H26N6O2/c1-14(2)28-13-20(25-26-28)19-11-17(12-24-21(19)23)16-4-5-18(15(3)10-16)22(29)27-6-8-30-9-7-27/h4-5,10-14H,6-9H2,1-3H3,(H2,23,24)
PDB

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n/an/a 110n/an/an/an/a8.530



H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223561
PNG
(US9321748, 21)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)c(C)c1
Show InChI InChI=1S/C22H28N6O/c1-15(2)28-14-21(25-26-28)20-11-19(12-24-22(20)23)17-4-5-18(16(3)10-17)13-27-6-8-29-9-7-27/h4-5,10-12,14-15H,6-9,13H2,1-3H3,(H2,23,24)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223562
PNG
(US9321748, 22)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(C(=O)N2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C21H23ClN6O2/c1-13(2)28-12-19(25-26-28)17-9-15(11-24-20(17)23)14-3-4-16(18(22)10-14)21(29)27-5-7-30-8-6-27/h3-4,9-13H,5-8H2,1-2H3,(H2,23,24)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223563
PNG
(US9321748, 23)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C21H25ClN6O/c1-14(2)28-13-20(25-26-28)18-9-17(11-24-21(18)23)15-3-4-16(19(22)10-15)12-27-5-7-29-8-6-27/h3-4,9-11,13-14H,5-8,12H2,1-2H3,(H2,23,24)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223564
PNG
(US9321748, 24)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-4-16(10-17)13-26-6-8-28-9-7-26/h3-5,10-12,14-15H,6-9,13H2,1-2H3,(H2,22,23)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223565
PNG
(US9321748, 25)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1cccc(c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H24N6O2/c1-14(2)27-13-19(24-25-27)18-11-17(12-23-20(18)22)15-4-3-5-16(10-15)21(28)26-6-8-29-9-7-26/h3-5,10-14H,6-9H2,1-2H3,(H2,22,23)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223566
PNG
(US9321748, 26)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1cc(Cl)cc(c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H23ClN6O2/c1-13(2)28-12-19(25-26-28)18-10-16(11-24-20(18)23)14-7-15(9-17(22)8-14)21(29)27-3-5-30-6-4-27/h7-13H,3-6H2,1-2H3,(H2,23,24)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223567
PNG
(US9321748, 27)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1cc(Cl)cc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H25ClN6O/c1-14(2)28-13-20(25-26-28)19-10-17(11-24-21(19)23)16-7-15(8-18(22)9-16)12-27-3-5-29-6-4-27/h7-11,13-14H,3-6,12H2,1-2H3,(H2,23,24)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223568
PNG
(US9321748, 28)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C21H24N6O2/c1-14(2)27-13-19(24-25-27)18-11-17(12-23-20(18)22)15-3-5-16(6-4-15)21(28)26-7-9-29-10-8-26/h3-6,11-14H,7-10H2,1-2H3,(H2,22,23)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223569
PNG
(US9321748, 29)
Show SMILES Nc1ncc(cc1-c1nnc(o1)C1CC1)-c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C21H23N5O2/c22-19-18(21-25-24-20(28-21)15-4-5-15)11-17(12-23-19)16-3-1-2-14(10-16)13-26-6-8-27-9-7-26/h1-3,10-12,15H,4-9,13H2,(H2,22,23)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM223570
PNG
(US9321748, 30)
Show SMILES CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CC(=O)N2CCOCC2)cc1
Show InChI InChI=1S/C22H26N6O2/c1-15(2)28-14-20(25-26-28)19-12-18(13-24-22(19)23)17-5-3-16(4-6-17)11-21(29)27-7-9-30-10-8-27/h3-6,12-15H,7-11H2,1-2H3,(H2,23,24)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
The kinase reaction buffer consists of 50 mM Tris pH 8.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA, and 2 mM DTT. In the assay, 1 nM LRRK2 WT or 250 pM ...


US Patent US9321748 (2016)


BindingDB Entry DOI: 10.7270/Q22R3QHC
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257161
PNG
(BDBM257389 | US9493440, 1)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
Show InChI InChI=1S/C19H21N5O2/c1-19(4-5-19)26-13-2-3-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24-6-8-25-9-7-24/h2-3,10-12H,4-9H2,1H3,(H,22,23)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257162
PNG
(US9493440, 2)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C3CC3)c2c1
Show InChI InChI=1S/C22H26N6O/c1-22(6-7-22)29-16-4-5-18-17(12-16)21(26-25-18)19-13-20(24-14-23-19)28-10-8-27(9-11-28)15-2-3-15/h4-5,12-15H,2-3,6-11H2,1H3,(H,25,26)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257163
PNG
(US9493440, 3)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C20H24N6O3S/c1-20(5-6-20)29-14-3-4-16-15(11-14)19(24-23-16)17-12-18(22-13-21-17)25-7-9-26(10-8-25)30(2,27)28/h3-4,11-13H,5-10H2,1-2H3,(H,23,24)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257164
PNG
(US9493440, 4)
Show SMILES CN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C20H22N6O2/c1-20(5-6-20)28-13-3-4-15-14(9-13)19(24-23-15)16-10-17(22-12-21-16)26-8-7-25(2)18(27)11-26/h3-4,9-10,12H,5-8,11H2,1-2H3,(H,23,24)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257165
PNG
(US9493440, 5)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC(C3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C19H21N5O3S/c1-19(5-6-19)27-12-3-4-15-14(7-12)18(23-22-15)16-8-17(21-11-20-16)24-9-13(10-24)28(2,25)26/h3-4,7-8,11,13H,5-6,9-10H2,1-2H3,(H,22,23)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257166
PNG
(US9493440, 6)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCOC4(CC4)C3)c2c1
Show InChI InChI=1S/C21H23N5O2/c1-20(4-5-20)28-14-2-3-16-15(10-14)19(25-24-16)17-11-18(23-13-22-17)26-8-9-27-21(12-26)6-7-21/h2-3,10-11,13H,4-9,12H2,1H3,(H,24,25)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257167
PNG
(US9493440, 7)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](F)[C@@H](F)C3)c2c1
Show InChI InChI=1S/C19H19F2N5O/c1-19(4-5-19)27-11-2-3-15-12(6-11)18(25-24-15)16-7-17(23-10-22-16)26-8-13(20)14(21)9-26/h2-3,6-7,10,13-14H,4-5,8-9H2,1H3,(H,24,25)/t13-,14-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257168
PNG
(BDBM257199 | US9493440, 8)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CCO)CC3)c2c1
Show InChI InChI=1S/C21H26N6O2/c1-21(4-5-21)29-15-2-3-17-16(12-15)20(25-24-17)18-13-19(23-14-22-18)27-8-6-26(7-9-27)10-11-28/h2-3,12-14,28H,4-11H2,1H3,(H,24,25)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257169
PNG
(US9493440, 10)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC(CC3)C(O)=O)c2c1
Show InChI InChI=1S/C21H23N5O3/c1-21(6-7-21)29-14-2-3-16-15(10-14)19(25-24-16)17-11-18(23-12-22-17)26-8-4-13(5-9-26)20(27)28/h2-3,10-13H,4-9H2,1H3,(H,24,25)(H,27,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257170
PNG
(US9493440, 11)
Show SMILES CO[C@@H]1CCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C20H23N5O2/c1-20(6-7-20)27-13-3-4-16-15(9-13)19(24-23-16)17-10-18(22-12-21-17)25-8-5-14(11-25)26-2/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,23,24)/t14-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257171
PNG
(US9493440, 12)
Show SMILES CO[C@H]1CCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C20H23N5O2/c1-20(6-7-20)27-13-3-4-16-15(9-13)19(24-23-16)17-10-18(22-12-21-17)25-8-5-14(11-25)26-2/h3-4,9-10,12,14H,5-8,11H2,1-2H3,(H,23,24)/t14-/m0/s1
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n/an/a 1.42n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257172
PNG
(US9493440, 13)
Show SMILES CC1COCCN1c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C20H23N5O2/c1-13-11-26-8-7-25(13)18-10-17(21-12-22-18)19-15-9-14(27-20(2)5-6-20)3-4-16(15)23-24-19/h3-4,9-10,12-13H,5-8,11H2,1-2H3,(H,23,24)
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n/an/a 2.29n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257173
PNG
(US9493440, 14)
Show SMILES COCCN(C)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C19H23N5O2/c1-19(6-7-19)26-13-4-5-15-14(10-13)18(23-22-15)16-11-17(21-12-20-16)24(2)8-9-25-3/h4-5,10-12H,6-9H2,1-3H3,(H,22,23)
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n/an/a 4.44n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257174
PNG
(US9493440, 15)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCNC4=O)CC3)c2c1
Show InChI InChI=1S/C23H26N6O2/c1-22(4-5-22)31-15-2-3-17-16(12-15)20(28-27-17)18-13-19(26-14-25-18)29-10-7-23(8-11-29)6-9-24-21(23)30/h2-3,12-14H,4-11H2,1H3,(H,24,30)(H,27,28)
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n/an/a 0.860n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257175
PNG
(US9493440, 16)
Show SMILES C[C@@H]1CN(CCN1C)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C21H26N6O/c1-14-12-27(9-8-26(14)3)19-11-18(22-13-23-19)20-16-10-15(28-21(2)6-7-21)4-5-17(16)24-25-20/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,24,25)/t14-/m1/s1
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n/an/a<0.600n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257176
PNG
(US9493440, 18)
Show SMILES CC(C)N1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C22H26N6O2/c1-14(2)28-9-8-27(12-20(28)29)19-11-18(23-13-24-19)21-16-10-15(30-22(3)6-7-22)4-5-17(16)25-26-21/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,25,26)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257177
PNG
(US9493440, 19)
Show SMILES CCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C21H24N6O2/c1-3-26-8-9-27(12-19(26)28)18-11-17(22-13-23-18)20-15-10-14(29-21(2)6-7-21)4-5-16(15)24-25-20/h4-5,10-11,13H,3,6-9,12H2,1-2H3,(H,24,25)
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n/an/a 1.08n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257178
PNG
(US9493440, 20)
Show SMILES COCCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2ccc(OC3(C)CC3)cc12
Show InChI InChI=1S/C22H26N6O3/c1-22(5-6-22)31-15-3-4-17-16(11-15)21(26-25-17)18-12-19(24-14-23-18)28-8-7-27(9-10-30-2)20(29)13-28/h3-4,11-12,14H,5-10,13H2,1-2H3,(H,25,26)
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n/an/a 1.01n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257179
PNG
(US9493440, 21)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@@H](N)C3)c2c1
Show InChI InChI=1S/C19H22N6O/c1-19(5-6-19)26-13-2-3-15-14(8-13)18(24-23-15)16-9-17(22-11-21-16)25-7-4-12(20)10-25/h2-3,8-9,11-12H,4-7,10,20H2,1H3,(H,23,24)/t12-/m1/s1
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n/an/a 1.99n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM257180
PNG
(US9493440, 22)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@H](N)C3)c2c1
Show InChI InChI=1S/C19H22N6O/c1-19(5-6-19)26-13-2-3-15-14(8-13)18(24-23-15)16-9-17(22-11-21-16)25-7-4-12(20)10-25/h2-3,8-9,11-12H,4-7,10,20H2,1H3,(H,23,24)/t12-/m0/s1
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n/an/a 2.19n/an/an/an/a8.525



Merck Sharp & Dohme Corp.

US Patent


Assay Description
a) 400 nl of a 1:2.15 serial dilution of test compound (98 uM top assay concentration) is spotted via Labcyte Echo to certain wells in a 384 well bla...


US Patent US9493440 (2016)


BindingDB Entry DOI: 10.7270/Q2668C4X
More data for this
Ligand-Target Pair
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