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Found 1874 hits Enz. Inhib. hit(s) with Target = 'Leucine-rich repeat serine/threonine-protein kinase 2 (LRRK2)'   
Target
(Institution)
LigandTarget
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))
BDBM239190
PNG
(US9416126, A15)
Show SMILES CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C22H26N8/c1-15(2)29-6-8-30(9-7-29)21-11-20(23-14-24-21)22-18-10-16(4-5-19(18)26-27-22)17-12-25-28(3)13-17/h4-5,10-15H,6-9H2,1-3H3,(H,26,27)
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US Patent
n/an/a 0.730n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239542
PNG
(US9416126, U26)
Show SMILES COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1
Show InChI InChI=1/C23H24N6O2/c1-14-11-29(12-15(2)31-14)22-9-20(25-13-26-22)23-17-8-16(4-5-19(17)27-28-23)18-10-24-7-6-21(18)30-3/h4-10,13-15H,11-12H2,1-3H3,(H,27,28)/t14-,15+
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n/an/a 0.75n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239082
PNG
(US9416126, A8)
Show SMILES CCN1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C21H24N8/c1-3-28-6-8-29(9-7-28)20-11-19(22-14-23-20)21-17-10-15(4-5-18(17)25-26-21)16-12-24-27(2)13-16/h4-5,10-14H,3,6-9H2,1-2H3,(H,25,26)
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n/an/a 0.760n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239540
PNG
(US9416126, U24)
Show SMILES CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C21H24N8/c1-14(2)28-5-7-29(8-6-28)20-10-19(22-13-23-20)21-17-9-15(16-11-24-25-12-16)3-4-18(17)26-27-21/h3-4,9-14H,5-8H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 0.960n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM50428701
PNG
(CHEMBL2333115)
Show SMILES CC(C)Nc1c(nnc2ccc(cc12)-c1cn[nH]c1)C(N)=O
Show InChI InChI=1S/C15H16N6O/c1-8(2)19-13-11-5-9(10-6-17-18-7-10)3-4-12(11)20-21-14(13)15(16)22/h3-8H,1-2H3,(H2,16,22)(H,17,18)(H,19,20)
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n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)

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


(Homo sapiens (Human))
BDBM50428716
PNG
(CHEMBL2333128)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O)C1CC1
Show InChI InChI=1S/C21H22N4O3S/c1-12(13-3-4-13)23-19-17-10-7-15(11-18(17)24-25-20(19)21(22)26)14-5-8-16(9-6-14)29(2,27)28/h5-13H,3-4H2,1-2H3,(H2,22,26)(H,23,24)/t12-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)

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


(Homo sapiens (Human))
BDBM254931
PNG
(US9499542, 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/a 1n/an/an/an/an/an/a



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)

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


(Homo sapiens (Human))
BDBM50059889
PNG
((staurosporine)3-methoxy-2-methyl-4-methylamino-(2...)
Show SMILES CN[C@@H]1CC2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20?,26-,28+/m1/s1
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n/an/a 1n/an/an/an/an/an/a



The University of Sydney

Curated by ChEMBL


Assay Description
Inhibition of human N-terminal GST-tagged LRRK2 after 1 hr by TR-FRET assay


Bioorg Med Chem Lett 23: 3690-6 (2013)

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


(Homo sapiens (Human))
BDBM50428717
PNG
(CHEMBL2333127)
Show SMILES CC[C@@H](C)Nc1c(nnc2cc(ccc12)-c1ccc(cc1)S(C)(=O)=O)C(N)=O
Show InChI InChI=1S/C20H22N4O3S/c1-4-12(2)22-18-16-10-7-14(11-17(16)23-24-19(18)20(21)25)13-5-8-15(9-6-13)28(3,26)27/h5-12H,4H2,1-3H3,(H2,21,25)(H,22,23)/t12-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)

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


(Homo sapiens (Human))
BDBM239234
PNG
(US9416126, D50)
Show SMILES CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(C)[C@@H](C)C1
Show InChI InChI=1/C20H25FN6O/c1-12(2)28-18-7-14-16(8-15(18)21)24-25-20(14)17-9-19(23-11-22-17)27-6-5-26(4)13(3)10-27/h7-9,11-13H,5-6,10H2,1-4H3,(H,24,25)/t13-/s2
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n/an/a 1.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239539
PNG
(US9416126, U23)
Show SMILES COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)C(C)C)c2c1
Show InChI InChI=1S/C24H27N7O/c1-16(2)30-8-10-31(11-9-30)23-13-21(26-15-27-23)24-18-12-17(4-5-20(18)28-29-24)19-14-25-7-6-22(19)32-3/h4-7,12-16H,8-11H2,1-3H3,(H,28,29)
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n/an/a 1.26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239235
PNG
(US9416126, D51)
Show SMILES CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(C)[C@H](C)C1
Show InChI InChI=1/C20H25FN6O/c1-12(2)28-18-7-14-16(8-15(18)21)24-25-20(14)17-9-19(23-11-22-17)27-6-5-26(4)13(3)10-27/h7-9,11-13H,5-6,10H2,1-4H3,(H,24,25)/t13-/s2
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n/an/a 1.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239256
PNG
(US9416126, D72)
Show SMILES CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1C[C@H](C)N(C)[C@H](C)C1
Show InChI InChI=1/C21H27FN6O/c1-12(2)29-19-6-15-17(7-16(19)22)25-26-21(15)18-8-20(24-11-23-18)28-9-13(3)27(5)14(4)10-28/h6-8,11-14H,9-10H2,1-5H3,(H,25,26)/t13-,14+
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n/an/a 1.33n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239543
PNG
(US9416126, U27)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1/C20H21N7O/c1-12-9-27(10-13(2)28-12)19-6-18(21-11-22-19)20-16-5-14(15-7-23-24-8-15)3-4-17(16)25-26-20/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)(H,25,26)/t12-,13+
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n/an/a 1.35n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239186
PNG
(US9416126, A11)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1/C21H23N7O/c1-13-9-28(10-14(2)29-13)20-7-19(22-12-23-20)21-17-6-15(4-5-18(17)25-26-21)16-8-24-27(3)11-16/h4-8,11-14H,9-10H2,1-3H3,(H,25,26)/t13-,14+
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239544
PNG
(US9416126, U28)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccn[nH]1
Show InChI InChI=1/C20H21N7O/c1-12-9-27(10-13(2)28-12)19-8-18(21-11-22-19)20-15-7-14(16-5-6-23-24-16)3-4-17(15)25-26-20/h3-8,11-13H,9-10H2,1-2H3,(H,23,24)(H,25,26)/t12-,13+
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n/an/a 1.44n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239484
PNG
(US9416126, P16)
Show SMILES COCCn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
Show InChI InChI=1S/C21H23N7O2/c1-29-7-6-28-13-16(12-24-28)15-2-3-18-17(10-15)21(26-25-18)19-11-20(23-14-22-19)27-4-8-30-9-5-27/h2-3,10-14H,4-9H2,1H3,(H,25,26)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239536
PNG
(US9416126, U20)
Show SMILES COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCN(CC3)S(C)(=O)=O)c2c1
Show InChI InChI=1S/C22H23N7O3S/c1-32-20-5-6-23-13-17(20)15-3-4-18-16(11-15)22(27-26-18)19-12-21(25-14-24-19)28-7-9-29(10-8-28)33(2,30)31/h3-6,11-14H,7-10H2,1-2H3,(H,26,27)
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n/an/a 1.58n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239255
PNG
(US9416126, D71)
Show SMILES COCCN1CCN(CC1=O)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
Show InChI InChI=1S/C21H25FN6O3/c1-13(2)31-18-8-14-16(9-15(18)22)25-26-21(14)17-10-19(24-12-23-17)28-5-4-27(6-7-30-3)20(29)11-28/h8-10,12-13H,4-7,11H2,1-3H3,(H,25,26)
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n/an/a 1.63n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239527
PNG
(US9416126, U11)
Show SMILES CC1(C)CC(=O)C=C(C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
Show InChI InChI=1S/C23H25N5O2/c1-23(2)12-16(9-17(29)13-23)15-3-4-19-18(10-15)22(27-26-19)20-11-21(25-14-24-20)28-5-7-30-8-6-28/h3-4,9-11,14H,5-8,12-13H2,1-2H3,(H,26,27)
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n/an/a 1.63n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239533
PNG
(US9416126, U17)
Show SMILES O=C1CCCC(=C1)c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
Show InChI InChI=1S/C21H21N5O2/c27-16-3-1-2-14(10-16)15-4-5-18-17(11-15)21(25-24-18)19-12-20(23-13-22-19)26-6-8-28-9-7-26/h4-5,10-13H,1-3,6-9H2,(H,24,25)
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n/an/a 1.63n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239246
PNG
(US9416126, D62)
Show SMILES CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CCO)CC1
Show InChI InChI=1S/C20H25FN6O2/c1-13(2)29-18-9-14-16(10-15(18)21)24-25-20(14)17-11-19(23-12-22-17)27-5-3-26(4-6-27)7-8-28/h9-13,28H,3-8H2,1-2H3,(H,24,25)
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n/an/a 1.65n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239300
PNG
(US9416126, H5)
Show SMILES COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1
Show InChI InChI=1/C21H27N5O3/c1-13-9-26(10-14(2)28-13)20-8-19(22-12-23-20)21-17-7-16(29-15(3)11-27-4)5-6-18(17)24-25-21/h5-8,12-15H,9-11H2,1-4H3,(H,24,25)/t13-,14+,15-/s2
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n/an/a 1.70n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239529
PNG
(US9416126, U13)
Show SMILES COc1ccncc1-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
Show InChI InChI=1S/C21H20N6O2/c1-28-19-4-5-22-12-16(19)14-2-3-17-15(10-14)21(26-25-17)18-11-20(24-13-23-18)27-6-8-29-9-7-27/h2-5,10-13H,6-9H2,1H3,(H,25,26)
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n/an/a 1.72n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239500
PNG
(US9416126, Q14)
Show SMILES COCCn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3C[C@H](C)O[C@H](C)C3)c2c1
Show InChI InChI=1/C23H27N7O2/c1-15-11-29(12-16(2)32-15)22-9-21(24-14-25-22)23-19-8-17(4-5-20(19)27-28-23)18-10-26-30(13-18)6-7-31-3/h4-5,8-10,13-16H,6-7,11-12H2,1-3H3,(H,27,28)/t15-,16+
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n/an/a 1.80n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239184
PNG
(US9416126, A9)
Show SMILES COCCOC1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C23H27N7O2/c1-29-14-17(13-26-29)16-3-4-20-19(11-16)23(28-27-20)21-12-22(25-15-24-21)30-7-5-18(6-8-30)32-10-9-31-2/h3-4,11-15,18H,5-10H2,1-2H3,(H,27,28)
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n/an/a 1.87n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239399
PNG
(US9416126, M9)
Show SMILES C[C@@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1/C20H21N7O/c1-13-10-27(5-6-28-13)19-8-18(21-12-22-19)20-16-7-14(3-4-17(16)24-25-20)15-9-23-26(2)11-15/h3-4,7-9,11-13H,5-6,10H2,1-2H3,(H,24,25)/t13-/s2
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n/an/a 1.90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM50059318
PNG
(CHEMBL3393356 | US9156845, 78)
Show SMILES Fc1c(cccc1-c1c[nH]c2ncnc(N3CCOCC3)c12)C#N
Show InChI InChI=1S/C17H14FN5O/c18-15-11(8-19)2-1-3-12(15)13-9-20-16-14(13)17(22-10-21-16)23-4-6-24-7-5-23/h1-3,9-10H,4-7H2,(H,20,21,22)
PDB

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UniProtKB/SwissProt

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n/an/a 2n/an/an/an/an/an/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)

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


(Homo sapiens (Human))
BDBM50428703
PNG
(CHEMBL2333113)
Show SMILES C[C@@H](Nc1c(nnc2cc(ccc12)-c1ccncc1)C(N)=O)C1CC1
Show InChI InChI=1S/C19H19N5O/c1-11(12-2-3-12)22-17-15-5-4-14(13-6-8-21-9-7-13)10-16(15)23-24-18(17)19(20)25/h4-12H,2-3H2,1H3,(H2,20,25)(H,22,23)/t11-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Elan Pharmaceuticals

Curated by ChEMBL


Assay Description
Inhibition of wild type GST-tagged LRRK2 (970 to 2527 amino acid residues) (unknown origin) assessed as inhibition of biotinylated-LRRKtide phosphory...


Bioorg Med Chem Lett 23: 71-4 (2012)

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


(Homo sapiens (Human))
BDBM239180
PNG
(US9416126, A4)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOC4(CC4)C3)c2c1
Show InChI InChI=1S/C21H21N7O/c1-27-11-15(10-24-27)14-2-3-17-16(8-14)20(26-25-17)18-9-19(23-13-22-18)28-6-7-29-21(12-28)4-5-21/h2-3,8-11,13H,4-7,12H2,1H3,(H,25,26)
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n/an/a 2.01n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239309
PNG
(US9416126, H14)
Show SMILES COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCCO4)CC3)c2c1
Show InChI InChI=1/C23H29N5O3/c1-16(14-29-2)31-17-4-5-19-18(12-17)22(27-26-19)20-13-21(25-15-24-20)28-9-7-23(8-10-28)6-3-11-30-23/h4-5,12-13,15-16H,3,6-11,14H2,1-2H3,(H,26,27)/t16-/s2
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n/an/a 2.02n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239309
PNG
(US9416126, H14)
Show SMILES COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCCO4)CC3)c2c1
Show InChI InChI=1/C23H29N5O3/c1-16(14-29-2)31-17-4-5-19-18(12-17)22(27-26-19)20-13-21(25-15-24-20)28-9-7-23(8-10-28)6-3-11-30-23/h4-5,12-13,15-16H,3,6-11,14H2,1-2H3,(H,26,27)/t16-/s2
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n/an/a 2.02n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239187
PNG
(US9416126, A12)
Show SMILES COC1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1S/C21H23N7O/c1-27-12-15(11-24-27)14-3-4-18-17(9-14)21(26-25-18)19-10-20(23-13-22-19)28-7-5-16(29-2)6-8-28/h3-4,9-13,16H,5-8H2,1-2H3,(H,25,26)
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n/an/a 2.04n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239302
PNG
(US9416126, H7)
Show SMILES COC[C@H](C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCN(C)CC3)c2c1
Show InChI InChI=1/C20H26N6O2/c1-14(12-27-3)28-15-4-5-17-16(10-15)20(24-23-17)18-11-19(22-13-21-18)26-8-6-25(2)7-9-26/h4-5,10-11,13-14H,6-9,12H2,1-3H3,(H,23,24)/t14-/s2
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n/an/a 2.08n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239251
PNG
(US9416126, D67)
Show SMILES COCCOC1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
Show InChI InChI=1S/C22H28FN5O3/c1-14(2)31-20-10-16-18(11-17(20)23)26-27-22(16)19-12-21(25-13-24-19)28-6-4-15(5-7-28)30-9-8-29-3/h10-15H,4-9H2,1-3H3,(H,26,27)
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n/an/a 2.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239522
PNG
(US9416126, U6)
Show SMILES FC1(F)CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cc[nH]n1
Show InChI InChI=1S/C19H17F2N7/c20-19(21)4-7-28(8-5-19)17-10-16(22-11-23-17)18-13-9-12(14-3-6-24-25-14)1-2-15(13)26-27-18/h1-3,6,9-11H,4-5,7-8H2,(H,24,25)(H,26,27)
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n/an/a 2.16n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239254
PNG
(US9416126, D70)
Show SMILES CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(C)C(=O)C1
Show InChI InChI=1S/C19H21FN6O2/c1-11(2)28-16-6-12-14(7-13(16)20)23-24-19(12)15-8-17(22-10-21-15)26-5-4-25(3)18(27)9-26/h6-8,10-11H,4-5,9H2,1-3H3,(H,23,24)
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n/an/a 2.19n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239240
PNG
(US9416126, D56)
Show SMILES CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCN(CC1)c1cnn(C)c1
Show InChI InChI=1S/C22H25FN8O/c1-14(2)32-20-8-16-18(9-17(20)23)27-28-22(16)19-10-21(25-13-24-19)31-6-4-30(5-7-31)15-11-26-29(3)12-15/h8-14H,4-7H2,1-3H3,(H,27,28)
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n/an/a 2.19n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239526
PNG
(US9416126, U10)
Show SMILES Cc1ncc(s1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
Show InChI InChI=1S/C19H18N6OS/c1-12-20-10-17(27-12)13-2-3-15-14(8-13)19(24-23-15)16-9-18(22-11-21-16)25-4-6-26-7-5-25/h2-3,8-11H,4-7H2,1H3,(H,23,24)
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239490
PNG
(US9416126, Q4)
Show SMILES C[C@H]1CN(C[C@@H](C)O1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cncc(C)c1
Show InChI InChI=1/C23H24N6O/c1-14-6-18(10-24-9-14)17-4-5-20-19(7-17)23(28-27-20)21-8-22(26-13-25-21)29-11-15(2)30-16(3)12-29/h4-10,13,15-16H,11-12H2,1-3H3,(H,27,28)/t15-,16+
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239392
PNG
(US9416126, M2)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCCC(F)(F)C3)c2c1
Show InChI InChI=1S/C20H19F2N7/c1-28-10-14(9-25-28)13-3-4-16-15(7-13)19(27-26-16)17-8-18(24-12-23-17)29-6-2-5-20(21,22)11-29/h3-4,7-10,12H,2,5-6,11H2,1H3,(H,26,27)
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239402
PNG
(US9416126, M12)
Show SMILES C[C@H]1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1/C20H21N7O/c1-13-10-27(5-6-28-13)19-8-18(21-12-22-19)20-16-7-14(3-4-17(16)24-25-20)15-9-23-26(2)11-15/h3-4,7-9,11-13H,5-6,10H2,1-2H3,(H,24,25)/t13-/s2
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n/an/a 2.20n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239252
PNG
(US9416126, D68)
Show SMILES CCS(=O)(=O)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2cc(F)c(OC(C)C)cc12
Show InChI InChI=1S/C20H25FN6O3S/c1-4-31(28,29)27-7-5-26(6-8-27)19-11-17(22-12-23-19)20-14-9-18(30-13(2)3)15(21)10-16(14)24-25-20/h9-13H,4-8H2,1-3H3,(H,24,25)
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n/an/a 2.24n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239396
PNG
(US9416126, M6)
Show SMILES CC(O)C1CCN(C1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cnn(C)c1
Show InChI InChI=1/C21H23N7O/c1-13(29)15-5-6-28(11-15)20-8-19(22-12-23-20)21-17-7-14(3-4-18(17)25-26-21)16-9-24-27(2)10-16/h3-4,7-10,12-13,15,29H,5-6,11H2,1-2H3,(H,25,26)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239394
PNG
(US9416126, M4)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CC[C@@H](CF)C3)c2c1
Show InChI InChI=1/C20H20FN7/c1-27-11-15(9-24-27)14-2-3-17-16(6-14)20(26-25-17)18-7-19(23-12-22-18)28-5-4-13(8-21)10-28/h2-3,6-7,9,11-13H,4-5,8,10H2,1H3,(H,25,26)/t13-/s2
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239532
PNG
(US9416126, U16)
Show SMILES C1CN(CCO1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1cn[nH]c1
Show InChI InChI=1S/C18H17N7O/c1-2-15-14(7-12(1)13-9-21-22-10-13)18(24-23-15)16-8-17(20-11-19-16)25-3-5-26-6-4-25/h1-2,7-11H,3-6H2,(H,21,22)(H,23,24)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239439
PNG
(US9416126, N20)
Show SMILES CC(C)Oc1cc2c(n[nH]c2cc1F)-c1cc(ncn1)N1CCC(F)(CO)CC1
Show InChI InChI=1S/C20H23F2N5O2/c1-12(2)29-17-7-13-15(8-14(17)21)25-26-19(13)16-9-18(24-11-23-16)27-5-3-20(22,10-28)4-6-27/h7-9,11-12,28H,3-6,10H2,1-2H3,(H,25,26)
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n/an/a 2.30n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239087
PNG
(US9416126, D32)
Show SMILES CC(C)Oc1ccc2[nH]nc(-c3cc(ncn3)N3CCC4(CCNC4=O)CC3)c2c1
Show InChI InChI=1S/C22H26N6O2/c1-14(2)30-15-3-4-17-16(11-15)20(27-26-17)18-12-19(25-13-24-18)28-9-6-22(7-10-28)5-8-23-21(22)29/h3-4,11-14H,5-10H2,1-2H3,(H,23,29)(H,26,27)
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n/an/a 2.31n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239080
PNG
(US9416126, A1)
Show SMILES Cn1cc(cn1)-c1ccc2[nH]nc(-c3cc(ncn3)N3CCOCC3)c2c1
Show InChI InChI=1S/C19H19N7O/c1-25-11-14(10-22-25)13-2-3-16-15(8-13)19(24-23-16)17-9-18(21-12-20-17)26-4-6-27-7-5-26/h2-3,8-12H,4-7H2,1H3,(H,23,24)
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n/an/a 2.31n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

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


(Homo sapiens (Human))
BDBM239541
PNG
(US9416126, U25)
Show SMILES CC(C)N1CCN(CC1)c1cc(ncn1)-c1n[nH]c2ccc(cc12)-c1ccn[nH]1
Show InChI InChI=1S/C21H24N8/c1-14(2)28-7-9-29(10-8-28)20-12-19(22-13-23-20)21-16-11-15(17-5-6-24-25-17)3-4-18(16)26-27-21/h3-6,11-14H,7-10H2,1-2H3,(H,24,25)(H,26,27)
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n/an/a 2.34n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US9416126 (2016)

More data for this
Ligand-Target Pair
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