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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 319.3
BDBM223541
Wt: 317.3
BDBM223542
Wt: 249.2
BDBM254918
Wt: 233.2
BDBM254919
Wt: 247.2
BDBM254920
Wt: 225.2
BDBM254921
Wt: 318.3
BDBM254922
Wt: 321.3
BDBM257201
Wt: 307.3
BDBM254923
Wt: 290.3
BDBM254925
Wt: 234.2
BDBM254928
Wt: 248.2
BDBM254929
Wt: 314.3
BDBM254930
Wt: 314.3
BDBM254933
Wt: 311.3
BDBM254934
Displayed 1 to 15 (of 276 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 52 hits in this display   
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))
BDBM257201
PNG
(US9493440, 45)
Show SMILES CC1(CC1)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC3)c2c1
Show InChI InChI=1S/C18H19N5O/c1-18(5-6-18)24-12-3-4-14-13(9-12)17(22-21-14)15-10-16(20-11-19-15)23-7-2-8-23/h3-4,9-11H,2,5-8H2,1H3,(H,21,22)
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n/an/a 3.90n/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)


(Homo sapiens (Human))
BDBM254929
PNG
(US9499542, 12 | US9675594, 12)
Show SMILES Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19)
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n/an/a 15n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254929
PNG
(US9499542, 12 | US9675594, 12)
Show SMILES Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19)
PDB

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n/an/a 17n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254930
PNG
(US9499542, 13 | US9675594, 13)
Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1
Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)
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n/an/a 48n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254930
PNG
(US9499542, 13 | US9675594, 13)
Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1
Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)
PDB

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n/an/a 58n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254933
PNG
(US9499542, 16 | US9675594, 16)
Show SMILES Cn1cc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)cn1
Show InChI InChI=1S/C18H14N6/c1-24-11-14(10-21-24)22-16-7-15(12-5-3-2-4-6-12)17-13(8-19)9-20-18(17)23-16/h2-7,9-11H,1H3,(H2,20,22,23)
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n/an/a 97n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254933
PNG
(US9499542, 16 | US9675594, 16)
Show SMILES Cn1cc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)cn1
Show InChI InChI=1S/C18H14N6/c1-24-11-14(10-21-24)22-16-7-15(12-5-3-2-4-6-12)17-13(8-19)9-20-18(17)23-16/h2-7,9-11H,1H3,(H2,20,22,23)
PDB

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n/an/a 164n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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n/an/a 170n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
PDB

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n/an/a 195n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254918
PNG
(US9499542, 1 | US9675594, 1)
Show SMILES COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3O/c1-19-12-4-2-3-10(7-12)13-5-6-17-15-14(13)11(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
PDB

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n/an/a 201n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
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n/an/a 216n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
PDB

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n/an/a 240n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254918
PNG
(US9499542, 1 | US9675594, 1)
Show SMILES COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3O/c1-19-12-4-2-3-10(7-12)13-5-6-17-15-14(13)11(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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n/an/a 247n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254920
PNG
(US9499542, 3 | US9675594, 3)
Show SMILES CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C16H13N3/c1-2-11-4-3-5-12(8-11)14-6-7-18-16-15(14)13(9-17)10-19-16/h3-8,10H,2H2,1H3,(H,18,19)
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n/an/a 252n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254920
PNG
(US9499542, 3 | US9675594, 3)
Show SMILES CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C16H13N3/c1-2-11-4-3-5-12(8-11)14-6-7-18-16-15(14)13(9-17)10-19-16/h3-8,10H,2H2,1H3,(H,18,19)
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n/an/a 266n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254925
PNG
(US9499542, 8 | US9675594, 8)
Show SMILES CN(C)Cc1ccc(cc1C)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C18H18N4/c1-12-8-13(4-5-14(12)11-22(2)3)16-6-7-20-18-17(16)15(9-19)10-21-18/h4-8,10H,11H2,1-3H3,(H,20,21)
PDB

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n/an/a 288n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254934
PNG
(US9499542, 17 | US9675594, 17)
Show SMILES N#Cc1c[nH]c2nc(Nc3ccccn3)cc(-c3ccccc3)c12
Show InChI InChI=1S/C19H13N5/c20-11-14-12-22-19-18(14)15(13-6-2-1-3-7-13)10-17(24-19)23-16-8-4-5-9-21-16/h1-10,12H,(H2,21,22,23,24)
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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
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254934
PNG
(US9499542, 17 | US9675594, 17)
Show SMILES N#Cc1c[nH]c2nc(Nc3ccccn3)cc(-c3ccccc3)c12
Show InChI InChI=1S/C19H13N5/c20-11-14-12-22-19-18(14)15(13-6-2-1-3-7-13)10-17(24-19)23-16-8-4-5-9-21-16/h1-10,12H,(H2,21,22,23,24)
PDB

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n/an/a 527n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254925
PNG
(US9499542, 8 | US9675594, 8)
Show SMILES CN(C)Cc1ccc(cc1C)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C18H18N4/c1-12-8-13(4-5-14(12)11-22(2)3)16-6-7-20-18-17(16)15(9-19)10-21-18/h4-8,10H,11H2,1-3H3,(H,20,21)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(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)
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n/an/a 570n/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 G2019S


(Homo sapiens (Human))
BDBM254923
PNG
(US9499542, 6 | US9675594, 6)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12
Show InChI InChI=1S/C17H17N5O/c18-9-14-10-20-17-16(14)15(1-3-19-17)13-2-4-22(11-13)12-21-5-7-23-8-6-21/h1-4,10-11H,5-8,12H2,(H,19,20)
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n/an/a 650n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
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n/an/a 851n/an/an/an/a8.530



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

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
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)
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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))
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)
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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)


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM254922
PNG
(US9499542, 5 | US9675594, 5)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccc(CN4CCOCC4)cc3)c12
Show InChI InChI=1S/C19H18N4O/c20-11-16-12-22-19-18(16)17(5-6-21-19)15-3-1-14(2-4-15)13-23-7-9-24-10-8-23/h1-6,12H,7-10,13H2,(H,21,22)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254923
PNG
(US9499542, 6 | US9675594, 6)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12
Show InChI InChI=1S/C17H17N5O/c18-9-14-10-20-17-16(14)15(1-3-19-17)13-2-4-22(11-13)12-21-5-7-23-8-6-21/h1-4,10-11H,5-8,12H2,(H,19,20)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254922
PNG
(US9499542, 5 | US9675594, 5)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccc(CN4CCOCC4)cc3)c12
Show InChI InChI=1S/C19H18N4O/c20-11-16-12-22-19-18(16)17(5-6-21-19)15-3-1-14(2-4-15)13-23-7-9-24-10-8-23/h1-6,12H,7-10,13H2,(H,21,22)
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H. Lundbeck A/S; Vernalis (R&D) Ltd.

US Patent


Assay Description
LRRK2 kinase activity is measured using a LanthaScreen kinase activity assay available from Invitrogen (Life Technologies Corporation). The assay is ...


US Patent US9499542 (2016)


BindingDB Entry DOI: 10.7270/Q22N516S
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254920
PNG
(US9499542, 3 | US9675594, 3)
Show SMILES CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C16H13N3/c1-2-11-4-3-5-12(8-11)14-6-7-18-16-15(14)13(9-17)10-19-16/h3-8,10H,2H2,1H3,(H,18,19)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254920
PNG
(US9499542, 3 | US9675594, 3)
Show SMILES CCc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C16H13N3/c1-2-11-4-3-5-12(8-11)14-6-7-18-16-15(14)13(9-17)10-19-16/h3-8,10H,2H2,1H3,(H,18,19)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254921
PNG
(US9499542, 4 | US9675594, 4)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccsc3)c12
Show InChI InChI=1S/C12H7N3S/c13-5-9-6-15-12-11(9)10(1-3-14-12)8-2-4-16-7-8/h1-4,6-7H,(H,14,15)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254922
PNG
(US9499542, 5 | US9675594, 5)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccc(CN4CCOCC4)cc3)c12
Show InChI InChI=1S/C19H18N4O/c20-11-16-12-22-19-18(16)17(5-6-21-19)15-3-1-14(2-4-15)13-23-7-9-24-10-8-23/h1-6,12H,7-10,13H2,(H,21,22)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254923
PNG
(US9499542, 6 | US9675594, 6)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12
Show InChI InChI=1S/C17H17N5O/c18-9-14-10-20-17-16(14)15(1-3-19-17)13-2-4-22(11-13)12-21-5-7-23-8-6-21/h1-4,10-11H,5-8,12H2,(H,19,20)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254923
PNG
(US9499542, 6 | US9675594, 6)
Show SMILES N#Cc1c[nH]c2nccc(-c3ccn(CN4CCOCC4)c3)c12
Show InChI InChI=1S/C17H17N5O/c18-9-14-10-20-17-16(14)15(1-3-19-17)13-2-4-22(11-13)12-21-5-7-23-8-6-21/h1-4,10-11H,5-8,12H2,(H,19,20)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254925
PNG
(US9499542, 8 | US9675594, 8)
Show SMILES CN(C)Cc1ccc(cc1C)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C18H18N4/c1-12-8-13(4-5-14(12)11-22(2)3)16-6-7-20-18-17(16)15(9-19)10-21-18/h4-8,10H,11H2,1-3H3,(H,20,21)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254925
PNG
(US9499542, 8 | US9675594, 8)
Show SMILES CN(C)Cc1ccc(cc1C)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C18H18N4/c1-12-8-13(4-5-14(12)11-22(2)3)16-6-7-20-18-17(16)15(9-19)10-21-18/h4-8,10H,11H2,1-3H3,(H,20,21)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254928
PNG
(US9499542, 11 | US9675594, 11)
Show SMILES Nc1cc(-c2ccccc2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C14H10N4/c15-7-10-8-17-14-13(10)11(6-12(16)18-14)9-4-2-1-3-5-9/h1-6,8H,(H3,16,17,18)
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US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254929
PNG
(US9499542, 12 | US9675594, 12)
Show SMILES Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19)
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NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254929
PNG
(US9499542, 12 | US9675594, 12)
Show SMILES Cc1cccc(c1)-c1cc(N)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H12N4/c1-9-3-2-4-10(5-9)12-6-13(17)19-15-14(12)11(7-16)8-18-15/h2-6,8H,1H3,(H3,17,18,19)
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US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254930
PNG
(US9499542, 13 | US9675594, 13)
Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1
Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)
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US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254930
PNG
(US9499542, 13 | US9675594, 13)
Show SMILES Cn1ccc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)n1
Show InChI InChI=1S/C18H14N6/c1-24-8-7-15(23-24)21-16-9-14(12-5-3-2-4-6-12)17-13(10-19)11-20-18(17)22-16/h2-9,11H,1H3,(H2,20,21,22,23)
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US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254933
PNG
(US9499542, 16 | US9675594, 16)
Show SMILES Cn1cc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)cn1
Show InChI InChI=1S/C18H14N6/c1-24-11-14(10-21-24)22-16-7-15(12-5-3-2-4-6-12)17-13(8-19)9-20-18(17)23-16/h2-7,9-11H,1H3,(H2,20,22,23)
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US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254933
PNG
(US9499542, 16 | US9675594, 16)
Show SMILES Cn1cc(Nc2cc(-c3ccccc3)c3c(c[nH]c3n2)C#N)cn1
Show InChI InChI=1S/C18H14N6/c1-24-11-14(10-21-24)22-16-7-15(12-5-3-2-4-6-12)17-13(8-19)9-20-18(17)23-16/h2-7,9-11H,1H3,(H2,20,22,23)
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n/an/an/an/a 97n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254934
PNG
(US9499542, 17 | US9675594, 17)
Show SMILES N#Cc1c[nH]c2nc(Nc3ccccn3)cc(-c3ccccc3)c12
Show InChI InChI=1S/C19H13N5/c20-11-14-12-22-19-18(14)15(13-6-2-1-3-7-13)10-17(24-19)23-16-8-4-5-9-21-16/h1-10,12H,(H2,21,22,23,24)
PDB

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UniChem
n/an/an/an/a 527n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254919
PNG
(US9499542, 2 | US9675594, 2)
Show SMILES Cc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3/c1-10-3-2-4-11(7-10)13-5-6-17-15-14(13)12(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
PDB

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UniChem
n/an/an/an/a 195n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254918
PNG
(US9499542, 1 | US9675594, 1)
Show SMILES COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3O/c1-19-12-4-2-3-10(7-12)13-5-6-17-15-14(13)11(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
PDB

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UniChem
n/an/an/an/a 247n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254918
PNG
(US9499542, 1 | US9675594, 1)
Show SMILES COc1cccc(c1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C15H11N3O/c1-19-12-4-2-3-10(7-12)13-5-6-17-15-14(13)11(8-16)9-18-15/h2-7,9H,1H3,(H,17,18)
PDB

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/an/an/a 201n/an/an/an/a



NMMLSC

US Patent


Assay Description
In the assay, 1 nM LRRK2 WT or 250 pM LRRK2 G2019S kinase is incubated with the test compound (typically at 0 to 30 μM) for 30 minutes before th...


US Patent US9675594 (2017)


BindingDB Entry DOI: 10.7270/Q2ZC8110
More data for this
Ligand-Target Pair
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