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Patent code US9675594

Compile Data Set for Download or QSAR
Found 46 hits of Enzyme Inhibition Constant Data   
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))
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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US Patent
n/an/an/an/a 340n/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)

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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US Patent
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)

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/an/an/a 15n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254932
PNG
(US9499542, 15 | US9675594, 15)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C24H25N7O/c1-16-11-17(3-4-18(16)15-31-7-9-32-10-8-31)20-12-22(27-21-5-6-30(2)29-21)28-24-23(20)19(13-25)14-26-24/h3-6,11-12,14H,7-10,15H2,1-2H3,(H2,26,27,28,29)
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n/an/an/an/a 4n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254937
PNG
(US9499542, 20 | US9675594, 20)
Show SMILES Cc1cn(C)nc1Nc1cc(-c2cccc(C)n2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C19H17N7/c1-11-10-26(3)25-18(11)23-16-7-14(15-6-4-5-12(2)22-15)17-13(8-20)9-21-19(17)24-16/h4-7,9-10H,1-3H3,(H2,21,23,24,25)
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n/an/an/an/a 50n/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)

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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n/an/an/an/a 3.87E+3n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254927
PNG
(US9499542, 10 | US9675594, 10)
Show SMILES COc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C20H20N4O2/c1-25-18-10-14(2-3-15(18)13-24-6-8-26-9-7-24)17-4-5-22-20-19(17)16(11-21)12-23-20/h2-5,10,12H,6-9,13H2,1H3,(H,22,23)
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n/an/an/an/a 919n/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)

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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n/an/an/an/a 17n/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)

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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n/an/an/an/a 164n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254938
PNG
(US9499542, 21 | US9675594, 21)
Show SMILES Cc1cccc(n1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H14F3N7/c1-10-4-3-5-14(25-10)12-6-15(27-18-16(12)11(7-23)8-24-18)26-17-13(19(20,21)22)9-29(2)28-17/h3-6,8-9H,1-2H3,(H2,24,26,27,28)
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n/an/an/an/a 393n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254940
PNG
(US9499542, 23 | US9675594, 23)
Show SMILES Cc1cn(C)nc1Nc1cc(-c2ccnc(C)c2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C19H17N7/c1-11-10-26(3)25-18(11)23-16-7-15(13-4-5-21-12(2)6-13)17-14(8-20)9-22-19(17)24-16/h4-7,9-10H,1-3H3,(H2,22,23,24,25)
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n/an/an/an/a 108n/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)

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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n/an/an/an/a 650n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254924
PNG
(US9499542, 7 | US9675594, 7)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C20H20N4O/c1-14-10-15(2-3-16(14)13-24-6-8-25-9-7-24)18-4-5-22-20-19(18)17(11-21)12-23-20/h2-5,10,12H,6-9,13H2,1H3,(H,22,23)
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n/an/an/an/a 78n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254926
PNG
(US9499542, 9 | US9675594, 9)
Show SMILES CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C21H22N4O/c1-2-15-11-16(3-4-17(15)14-25-7-9-26-10-8-25)19-5-6-23-21-20(19)18(12-22)13-24-21/h3-6,11,13H,2,7-10,14H2,1H3,(H,23,24)
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n/an/an/an/a 149n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254935
PNG
(US9499542, 18 | US9675594, 18)
Show SMILES Cc1cncc(c1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H14F3N7/c1-10-3-11(7-24-6-10)13-4-15(27-18-16(13)12(5-23)8-25-18)26-17-14(19(20,21)22)9-29(2)28-17/h3-4,6-9H,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 509n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254936
PNG
(US9499542, 19 | US9675594, 19)
Show SMILES Cc1ccnc(c1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C18H14ClN7/c1-10-3-4-21-14(5-10)12-6-15(23-17-13(19)9-26(2)25-17)24-18-16(12)11(7-20)8-22-18/h3-6,8-9H,1-2H3,(H2,22,23,24,25)
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n/an/an/an/a 215n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254939
PNG
(US9499542, 22 | US9675594, 22)
Show SMILES Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C18H15N7/c1-11-5-12(9-20-8-11)14-6-16(22-15-3-4-25(2)24-15)23-18-17(14)13(7-19)10-21-18/h3-6,8-10H,1-2H3,(H2,21,22,23,24)
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n/an/an/an/a 27n/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)

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/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)

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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n/an/an/an/a 252n/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)

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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n/an/an/an/a 851n/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)

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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n/an/an/an/a 549n/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)

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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n/an/an/an/a 58n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254937
PNG
(US9499542, 20 | US9675594, 20)
Show SMILES Cc1cn(C)nc1Nc1cc(-c2cccc(C)n2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C19H17N7/c1-11-10-26(3)25-18(11)23-16-7-14(15-6-4-5-12(2)22-15)17-13(8-20)9-21-19(17)24-16/h4-7,9-10H,1-3H3,(H2,21,23,24,25)
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n/an/an/an/a 36n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254938
PNG
(US9499542, 21 | US9675594, 21)
Show SMILES Cc1cccc(n1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H14F3N7/c1-10-4-3-5-14(25-10)12-6-15(27-18-16(12)11(7-23)8-24-18)26-17-13(19(20,21)22)9-29(2)28-17/h3-6,8-9H,1-2H3,(H2,24,26,27,28)
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n/an/an/an/a 575n/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)

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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n/an/an/an/a 5.44E+3n/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)

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/an/an/a 216n/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)

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)
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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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254939
PNG
(US9499542, 22 | US9675594, 22)
Show SMILES Cc1cncc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C18H15N7/c1-11-5-12(9-20-8-11)14-6-16(22-15-3-4-25(2)24-15)23-18-17(14)13(7-19)10-21-18/h3-6,8-10H,1-2H3,(H2,21,22,23,24)
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n/an/an/an/a 37n/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)

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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n/an/an/an/a 1.31E+3n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254924
PNG
(US9499542, 7 | US9675594, 7)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C20H20N4O/c1-14-10-15(2-3-16(14)13-24-6-8-25-9-7-24)18-4-5-22-20-19(18)17(11-21)12-23-20/h2-5,10,12H,6-9,13H2,1H3,(H,22,23)
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n/an/an/an/a 620n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254927
PNG
(US9499542, 10 | US9675594, 10)
Show SMILES COc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C20H20N4O2/c1-25-18-10-14(2-3-15(18)13-24-6-8-26-9-7-24)17-4-5-22-20-19(17)16(11-21)12-23-20/h2-5,10,12H,6-9,13H2,1H3,(H,22,23)
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n/an/an/an/a 154n/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)

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/an/an/a 48n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254931
PNG
(US9499542, 14 | US9675594, 14)
Show SMILES Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24)
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n/an/an/an/a 1n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254932
PNG
(US9499542, 15 | US9675594, 15)
Show SMILES Cc1cc(ccc1CN1CCOCC1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C24H25N7O/c1-16-11-17(3-4-18(16)15-31-7-9-32-10-8-31)20-12-22(27-21-5-6-30(2)29-21)28-24-23(20)19(13-25)14-26-24/h3-6,11-12,14H,7-10,15H2,1-2H3,(H2,26,27,28,29)
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n/an/an/an/a 1n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254935
PNG
(US9499542, 18 | US9675594, 18)
Show SMILES Cc1cncc(c1)-c1cc(Nc2nn(C)cc2C(F)(F)F)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H14F3N7/c1-10-3-11(7-24-6-10)13-4-15(27-18-16(13)12(5-23)8-25-18)26-17-14(19(20,21)22)9-29(2)28-17/h3-4,6-9H,1-2H3,(H2,25,26,27,28)
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n/an/an/an/a 358n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254936
PNG
(US9499542, 19 | US9675594, 19)
Show SMILES Cc1ccnc(c1)-c1cc(Nc2nn(C)cc2Cl)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C18H14ClN7/c1-10-3-4-21-14(5-10)12-6-15(23-17-13(19)9-26(2)25-17)24-18-16(12)11(7-20)8-22-18/h3-6,8-9H,1-2H3,(H2,22,23,24,25)
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n/an/an/an/a 145n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)


(Homo sapiens (Human))
BDBM254940
PNG
(US9499542, 23 | US9675594, 23)
Show SMILES Cc1cn(C)nc1Nc1cc(-c2ccnc(C)c2)c2c(c[nH]c2n1)C#N
Show InChI InChI=1S/C19H17N7/c1-11-10-26(3)25-18(11)23-16-7-15(13-4-5-21-12(2)6-13)17-14(8-20)9-22-19(17)24-16/h4-7,9-10H,1-3H3,(H2,22,23,24,25)
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n/an/an/an/a 215n/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)

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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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)

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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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)

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/an/an/a 170n/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)

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/an/an/a 266n/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)

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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n/an/an/an/a 288n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254926
PNG
(US9499542, 9 | US9675594, 9)
Show SMILES CCc1cc(ccc1CN1CCOCC1)-c1ccnc2[nH]cc(C#N)c12
Show InChI InChI=1S/C21H22N4O/c1-2-15-11-16(3-4-17(15)14-25-7-9-26-10-8-25)19-5-6-23-21-20(19)18(12-22)13-24-21/h3-6,11,13H,2,7-10,14H2,1H3,(H,23,24)
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n/an/an/an/a 26n/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)

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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n/an/an/an/a 240n/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)

More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)(G2019S)


(Homo sapiens (Human))
BDBM254931
PNG
(US9499542, 14 | US9675594, 14)
Show SMILES Cc1cccc(c1)-c1cc(Nc2ccn(C)n2)nc2[nH]cc(C#N)c12
Show InChI InChI=1S/C19H16N6/c1-12-4-3-5-13(8-12)15-9-17(22-16-6-7-25(2)24-16)23-19-18(15)14(10-20)11-21-19/h3-9,11H,1-2H3,(H2,21,22,23,24)
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n/an/an/an/a 2n/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)

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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n/an/an/an/a 1.28E+3n/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%