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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 249.2
BDBM185420
Wt: 238.2
BDBM185424
Wt: 242.2
BDBM185473
Wt: 249.2
BDBM254918
Wt: 233.2
BDBM254919
Wt: 247.2
BDBM254920
Wt: 225.2
BDBM254921
Wt: 234.2
BDBM254928
Wt: 248.2
BDBM254929
Wt: 245.6
BDBM162039
Wt: 211.2
BDBM162041
Wt: 213.2
BDBM162340
Wt: 199.2
BDBM162343
Wt: 248.2
BDBM164206
Wt: 260.6
BDBM164234
Displayed 1 to 15 (of 302 total )  |  Next  |  Last  >>

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

Found 43 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)


(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 G2019S


(Homo sapiens (Human))
BDBM185473
PNG
(US9156845, 126)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
Show InChI InChI=1S/C12H14N6/c1-17(2)12-10-9(8-4-16-18(3)6-8)5-13-11(10)14-7-15-12/h4-7H,1-3H3,(H,13,14,15)
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n/an/a 35n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185424
PNG
(US9156845, 68)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C14H14N4/c1-18(2)14-12-11(10-6-4-3-5-7-10)8-15-13(12)16-9-17-14/h3-9H,1-2H3,(H,15,16,17)
PDB

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n/an/a 39n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185420
PNG
(US9156845, 64)
Show SMILES CNc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C14H11N5/c1-16-13-12-11(7-17-14(12)19-8-18-13)10-4-2-3-9(5-10)6-15/h2-5,7-8H,1H3,(H2,16,17,18,19)
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n/an/a 45n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185473
PNG
(US9156845, 126)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3cnn(C)c3)c12
Show InChI InChI=1S/C12H14N6/c1-17(2)12-10-9(8-4-16-18(3)6-8)5-13-11(10)14-7-15-12/h4-7H,1-3H3,(H,13,14,15)
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n/an/a 55n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM185424
PNG
(US9156845, 68)
Show SMILES CN(C)c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C14H14N4/c1-18(2)14-12-11(10-6-4-3-5-7-10)8-15-13(12)16-9-17-14/h3-9H,1-2H3,(H,15,16,17)
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Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM185420
PNG
(US9156845, 64)
Show SMILES CNc1ncnc2[nH]cc(-c3cccc(c3)C#N)c12
Show InChI InChI=1S/C14H11N5/c1-16-13-12-11(7-17-14(12)19-8-18-13)10-4-2-3-9(5-10)6-15/h2-5,7-8H,1H3,(H2,16,17,18,19)
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n/an/a 97n/an/an/an/a7.5n/a



Pfizer Inc.

US Patent


Assay Description
LRRK2 kinase activity was measured using Lantha Screen technology from Invitrogen. GST-tagged truncated LRRK2 from Invitrogen (Cat # PV4874) was incu...


US Patent US9156845 (2015)


BindingDB Entry DOI: 10.7270/Q2DB80MW
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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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)
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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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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)
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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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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
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (human))
BDBM162340
PNG
(US9669028, 108 3-methyl-5-(1-methyl-1H-pyrazol-4-y...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C11H11N5/c1-7-10-3-8(4-12-11(10)15-14-7)9-5-13-16(2)6-9/h3-6H,1-2H3,(H,12,14,15)
PDB
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n/an/a>500n/an/an/an/a7.5n/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
The 2×DYRK1A/Ser/Thr 18 mixture was prepared in 50 mM HEPES pH 7.5, 0.01% BRIJ-35, 10 mM MgCl2, 1 mM EGTA. The final 10 μL Kinase Reaction consi...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM162340
PNG
(US9669028, 108 3-methyl-5-(1-methyl-1H-pyrazol-4-y...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C11H11N5/c1-7-10-3-8(4-12-11(10)15-14-7)9-5-13-16(2)6-9/h3-6H,1-2H3,(H,12,14,15)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM162340
PNG
(US9669028, 108 3-methyl-5-(1-methyl-1H-pyrazol-4-y...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C11H11N5/c1-7-10-3-8(4-12-11(10)15-14-7)9-5-13-16(2)6-9/h3-6H,1-2H3,(H,12,14,15)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
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)


(Homo sapiens (Human))
BDBM162041
PNG
(US9669028, 45 3-methyl-5-(pyrazin-2-yl)-1H-pyrazol...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnccn1
Show InChI InChI=1S/C11H9N5/c1-7-9-4-8(5-14-11(9)16-15-7)10-6-12-2-3-13-10/h2-6H,1H3,(H,14,15,16)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM162039
PNG
(US9669028, 42 5-(6-chloropyrazin-2-yl)-3-methyl-1H...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cncc(Cl)n1
Show InChI InChI=1S/C11H8ClN5/c1-6-8-2-7(3-14-11(8)17-16-6)9-4-13-5-10(12)15-9/h2-5H,1H3,(H,14,16,17)
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n/an/a>1.00E+3n/an/an/an/an/an/a



ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM162039
PNG
(US9669028, 42 5-(6-chloropyrazin-2-yl)-3-methyl-1H...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cncc(Cl)n1
Show InChI InChI=1S/C11H8ClN5/c1-6-8-2-7(3-14-11(8)17-16-6)9-4-13-5-10(12)15-9/h2-5H,1H3,(H,14,16,17)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM162041
PNG
(US9669028, 45 3-methyl-5-(pyrazin-2-yl)-1H-pyrazol...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cnccn1
Show InChI InChI=1S/C11H9N5/c1-7-9-4-8(5-14-11(9)16-15-7)10-6-12-2-3-13-10/h2-6H,1H3,(H,14,15,16)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM164234
PNG
(US9669028, 171 N-(6-chloropyrazin-2-yl)-3-methyl-1...)
Show SMILES Cc1n[nH]c2ncc(Nc3cncc(Cl)n3)cc12
Show InChI InChI=1S/C11H9ClN6/c1-6-8-2-7(3-14-11(8)18-17-6)15-10-5-13-4-9(12)16-10/h2-5H,1H3,(H,15,16)(H,14,17,18)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM164234
PNG
(US9669028, 171 N-(6-chloropyrazin-2-yl)-3-methyl-1...)
Show SMILES Cc1n[nH]c2ncc(Nc3cncc(Cl)n3)cc12
Show InChI InChI=1S/C11H9ClN6/c1-6-8-2-7(3-14-11(8)18-17-6)15-10-5-13-4-9(12)16-10/h2-5H,1H3,(H,15,16)(H,14,17,18)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM164206
PNG
(US9669028, 158 2-(3-(3-methyl-1H-pyrazolo[3,4-b]py...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cccc(CC#N)c1
Show InChI InChI=1S/C15H12N4/c1-10-14-8-13(9-17-15(14)19-18-10)12-4-2-3-11(7-12)5-6-16/h2-4,7-9H,5H2,1H3,(H,17,18,19)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM164206
PNG
(US9669028, 158 2-(3-(3-methyl-1H-pyrazolo[3,4-b]py...)
Show SMILES Cc1n[nH]c2ncc(cc12)-c1cccc(CC#N)c1
Show InChI InChI=1S/C15H12N4/c1-10-14-8-13(9-17-15(14)19-18-10)12-4-2-3-11(7-12)5-6-16/h2-4,7-9H,5H2,1H3,(H,17,18,19)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 G2019S


(Homo sapiens (Human))
BDBM162343
PNG
(US9669028, 117 5-(1-methyl-1H-pyrazol-4-yl)-1H-pyr...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C10H9N5/c1-15-6-9(5-13-15)7-2-8-4-12-14-10(8)11-3-7/h2-6H,1H3,(H,11,12,14)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM162343
PNG
(US9669028, 117 5-(1-methyl-1H-pyrazol-4-yl)-1H-pyr...)
Show SMILES Cn1cc(cn1)-c1cnc2[nH]ncc2c1
Show InChI InChI=1S/C10H9N5/c1-15-6-9(5-13-15)7-2-8-4-12-14-10(8)11-3-7/h2-6H,1H3,(H,11,12,14)
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ARRIEN PHARMACEUTICALS LLC

US Patent


Assay Description
Procedure: Enzyme was incubated with substrate peptide in reaction buffer in the presence and absence of test compounds or Staurosporine. All additio...


US Patent US9669028 (2017)


BindingDB Entry DOI: 10.7270/Q2G44NG0
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 (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)
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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))
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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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)
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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))
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))
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)(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))
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))
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))
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))
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))
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