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Compile Data Set for Download or QSAR

Found 215 hits Enz. Inhib. hit(s) with all data for entry = 2896   
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 [G2019S]


(Homo sapiens (Human))
BDBM384287
PNG
(US10590114, No. 1 | US11111235, No. 1 | US11591316...)
Show SMILES CNc1nc(Nc2cnn(C3CC4CCC(C3)N4C)c2C)ncc1C(F)(F)F |TLB:18:17:13.14:11.16.10,THB:9:10:17:13.14|
Show InChI InChI=1S/C18H24F3N7/c1-10-15(25-17-23-8-14(18(19,20)21)16(22-2)26-17)9-24-28(10)13-6-11-4-5-12(7-13)27(11)3/h8-9,11-13H,4-7H2,1-3H3,(H2,22,23,25,26)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384290
PNG
(US9932325, Example 3)
Show SMILES CNc1nc(Nc2cn(nc2C)C2CC3C[C@@H]3C2)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C16H19F3N6/c1-8-13(7-25(24-8)11-4-9-3-10(9)5-11)22-15-21-6-12(16(17,18)19)14(20-2)23-15/h6-7,9-11H,3-5H2,1-2H3,(H2,20,21,22,23)/t9-,10?,11?/m1/s1
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384293
PNG
(US9932325, Example 4)
Show SMILES CNc1nc(Nc2cnn(C3CC4C[C@@H]4C3)c2C)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C16H19F3N6/c1-8-13(7-22-25(8)11-4-9-3-10(9)5-11)23-15-21-6-12(16(17,18)19)14(20-2)24-15/h6-7,9-11H,3-5H2,1-2H3,(H2,20,21,23,24)/t9-,10?,11?/m1/s1
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384294
PNG
(US10590114, No. 5 | US11111235, No. 5 | US11591316...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NC2C3CC2C3)n1)C(F)(F)F)C(C)(C)C#N |(-4.47,-1.87,;-2.93,-1.87,;-2.02,-3.12,;-.56,-2.64,;-.56,-1.1,;-2.02,-.63,;-2.42,.86,;-1.33,1.95,;-1.73,3.44,;-.64,4.53,;.85,4.13,;1.25,2.64,;2.73,2.24,;3.13,.76,;2.36,-.58,;3.7,-1.35,;4.47,-.01,;3.58,-.9,;.16,1.55,;1.94,5.22,;3.42,4.82,;1.54,6.71,;3.03,6.31,;.53,-3.73,;2.02,-4.13,;1.62,-2.64,;.13,-5.22,;-.26,-6.71,)|
Show InChI InChI=1S/C18H20F3N7/c1-9-13(7-28(27-9)17(2,3)8-22)24-16-23-6-12(18(19,20)21)15(26-16)25-14-10-4-11(14)5-10/h6-7,10-11,14H,4-5H2,1-3H3,(H2,23,24,25,26)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384297
PNG
(US10590114, No. 7 | US11111235, No. 7 | US11591316...)
Show SMILES CNc1nc(Nc2cnn(CC34CC(C3)(C4)C#N)c2C)ncc1C(F)(F)F
Show InChI InChI=1S/C17H18F3N7/c1-10-12(4-24-27(10)9-16-5-15(6-16,7-16)8-21)25-14-23-3-11(17(18,19)20)13(22-2)26-14/h3-4H,5-7,9H2,1-2H3,(H2,22,23,25,26)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384299
PNG
(US10590114, No. 8 | US11111235, No. 8 | US11591316...)
Show SMILES CNc1nc(Nc2cnn3CC4(CC4)Cc23)ncc1C(F)(F)F
Show InChI InChI=1S/C14H15F3N6/c1-18-11-8(14(15,16)17)5-19-12(22-11)21-9-6-20-23-7-13(2-3-13)4-10(9)23/h5-6H,2-4,7H2,1H3,(H2,18,19,21,22)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384304
PNG
(US9932325, Example 9)
Show SMILES CNc1nc(Nc2cnn(C3CC4[C@@H](C3)C4(F)F)c2Cl)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C15H14ClF5N6/c1-22-12-9(15(19,20)21)4-23-13(26-12)25-10-5-24-27(11(10)16)6-2-7-8(3-6)14(7,17)18/h4-8H,2-3H2,1H3,(H2,22,23,25,26)/t6?,7-,8?/m1/s1
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384307
PNG
(US11591316, Compound 11 | US9932325, Example 11)
Show SMILES CNc1nc(Nc2cnn(C3CC4[C@H](C3)C4(F)F)c2C)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C16H17F5N6/c1-7-12(6-24-27(7)8-3-9-10(4-8)15(9,17)18)25-14-23-5-11(16(19,20)21)13(22-2)26-14/h5-6,8-10H,3-4H2,1-2H3,(H2,22,23,25,26)/t8?,9-,10?/m0/s1
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384308
PNG
(US11591316, Compound 12 | US9932325, Example 12)
Show SMILES CNc1nc(Nc2cn(nc2C)C2CC3[C@H](C2)C3(F)F)ncc1C(F)(F)F |r|
Show InChI InChI=1S/C16H17F5N6/c1-7-12(6-27(26-7)8-3-9-10(4-8)15(9,17)18)24-14-23-5-11(16(19,20)21)13(22-2)25-14/h5-6,8-10H,3-4H2,1-2H3,(H2,22,23,24,25)/t8?,9-,10?/m0/s1
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384309
PNG
(US10590114, No. 13 | US11111235, No. 13 | US115913...)
Show SMILES CNc1nc(Nc2cnn(C3CC4(COC4)C3)c2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C15H16ClF3N6O/c1-20-12-9(15(17,18)19)4-21-13(24-12)23-10-5-22-25(11(10)16)8-2-14(3-8)6-26-7-14/h4-5,8H,2-3,6-7H2,1H3,(H2,20,21,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384310
PNG
(US10590114, No. 14 | US11111235, No. 14 | US115913...)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(C)n2)ncc1C(F)(F)F
Show InChI InChI=1S/C16H20F3N9/c1-9-11(7-28(25-9)15(2,3)13-22-8-27(5)26-13)23-14-21-6-10(16(17,18)19)12(20-4)24-14/h6-8H,1-5H3,(H2,20,21,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384311
PNG
(US10590114, No. 15 | US11111235, No. 15 | US115913...)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F
Show InChI InChI=1S/C17H21F3N8/c1-10-12(9-28(25-10)16(2,3)13-6-7-27(5)26-13)23-15-22-8-11(17(18,19)20)14(21-4)24-15/h6-9H,1-5H3,(H2,21,22,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384312
PNG
(US10590114, No. 16 | US11111235, No. 16 | US115913...)
Show SMILES CNc1nc(Nc2cnn3CC4(COC4)Cc23)ncc1C(F)(F)F
Show InChI InChI=1S/C14H15F3N6O/c1-18-11-8(14(15,16)17)3-19-12(22-11)21-9-4-20-23-5-13(2-10(9)23)6-24-7-13/h3-4H,2,5-7H2,1H3,(H2,18,19,21,22)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384314
PNG
(US10590114, No. 17 | US11111235, No. 17 | US115913...)
Show SMILES CNc1nc(Nc2cnn3CC4(CC4)COc23)ncc1C(F)(F)F
Show InChI InChI=1S/C14H15F3N6O/c1-18-10-8(14(15,16)17)4-19-12(22-10)21-9-5-20-23-6-13(2-3-13)7-24-11(9)23/h4-5H,2-3,6-7H2,1H3,(H2,18,19,21,22)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM196756
PNG
(US10590114, No. 18 | US11111235, No. 18 | US115913...)
Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)c2ccn(C)n2)ncc1C(F)(F)F
Show InChI InChI=1S/C18H23F3N8/c1-6-22-15-12(18(19,20)21)9-23-16(25-15)24-13-10-29(26-11(13)2)17(3,4)14-7-8-28(5)27-14/h7-10H,6H2,1-5H3,(H2,22,23,24,25)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384317
PNG
(US10590114, No. 19 | US11111235, No. 19 | US115913...)
Show SMILES Cc1nn(cc1Nc1nc2NCC3(CC3)c2c(n1)C1CC1)C(C)(C)C#N
Show InChI InChI=1S/C19H23N7/c1-11-13(8-26(25-11)18(2,3)9-20)22-17-23-15(12-4-5-12)14-16(24-17)21-10-19(14)6-7-19/h8,12H,4-7,10H2,1-3H3,(H2,21,22,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384318
PNG
(US10590114, No. 20 | US11111235, No. 20 | US115913...)
Show SMILES CCNc1nc(Nc2cnn3CC4(COC4)Cc23)ncc1C(F)(F)F
Show InChI InChI=1S/C15H17F3N6O/c1-2-19-12-9(15(16,17)18)4-20-13(23-12)22-10-5-21-24-6-14(3-11(10)24)7-25-8-14/h4-5H,2-3,6-8H2,1H3,(H2,19,20,22,23)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384321
PNG
(US10590114, No. 21 | US11111235, No. 21 | US115913...)
Show SMILES Cc1c(Nc2ncc(c(NC3CC3)n2)C(F)(F)F)cnn1C1C[C@@H](C1)C#N |r,wU:23.28,(-3.98,.54,;-2.5,.14,;-1.25,1.05,;-1.25,2.59,;.08,3.36,;.08,4.9,;1.42,5.67,;2.75,4.9,;2.75,3.36,;4.09,2.59,;4.09,1.05,;3.32,-.29,;4.86,-.29,;1.42,2.59,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,)|
Show InChI InChI=1S/C17H18F3N7/c1-9-14(8-23-27(9)12-4-10(5-12)6-21)25-16-22-7-13(17(18,19)20)15(26-16)24-11-2-3-11/h7-8,10-12H,2-5H2,1H3,(H2,22,24,25,26)/t10-,12?
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384323
PNG
(US10590114, No. 24 | US11111235, No. 24 | US115913...)
Show SMILES CCNc1nc(Nc2cn(nc2C)C2(C)CCN(C)C2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H22F3N7O/c1-5-21-13-11(17(18,19)20)8-22-15(24-13)23-12-9-27(25-10(12)2)16(3)6-7-26(4)14(16)28/h8-9H,5-7H2,1-4H3,(H2,21,22,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384323
PNG
(US10590114, No. 24 | US11111235, No. 24 | US115913...)
Show SMILES CCNc1nc(Nc2cn(nc2C)C2(C)CCN(C)C2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H22F3N7O/c1-5-21-13-11(17(18,19)20)8-22-15(24-13)23-12-9-27(25-10(12)2)16(3)6-7-26(4)14(16)28/h8-9H,5-7H2,1-4H3,(H2,21,22,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384323
PNG
(US10590114, No. 24 | US11111235, No. 24 | US115913...)
Show SMILES CCNc1nc(Nc2cn(nc2C)C2(C)CCN(C)C2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C17H22F3N7O/c1-5-21-13-11(17(18,19)20)8-22-15(24-13)23-12-9-27(25-10(12)2)16(3)6-7-26(4)14(16)28/h8-9H,5-7H2,1-4H3,(H2,21,22,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384328
PNG
(US10590114, No. 25 | US11111235, No. 25 | US115913...)
Show SMILES CCNc1nc(Nc2cn(nc2C)C2CCN(C)C2=O)ncc1C(F)(F)F
Show InChI InChI=1S/C16H20F3N7O/c1-4-20-13-10(16(17,18)19)7-21-15(23-13)22-11-8-26(24-9(11)2)12-5-6-25(3)14(12)27/h7-8,12H,4-6H2,1-3H3,(H2,20,21,22,23)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384330
PNG
(US10590114, No. 27 | US11111235, No. 27 | US115913...)
Show SMILES CCNc1nc(Nc2cnn(C3C[C@@H](C3)C#N)c2C)ncc1C(F)(F)F |r,wU:13.15,(5.42,.28,;4.09,1.05,;4.09,2.59,;2.75,3.36,;1.42,2.59,;.08,3.36,;-1.25,2.59,;-1.25,1.05,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,;-2.5,.14,;-3.98,.54,;.08,4.9,;1.42,5.67,;2.75,4.9,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,)|
Show InChI InChI=1S/C16H18F3N7/c1-3-21-14-12(16(17,18)19)7-22-15(25-14)24-13-8-23-26(9(13)2)11-4-10(5-11)6-20/h7-8,10-11H,3-5H2,1-2H3,(H2,21,22,24,25)/t10-,11?
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384330
PNG
(US10590114, No. 27 | US11111235, No. 27 | US115913...)
Show SMILES CCNc1nc(Nc2cnn(C3C[C@@H](C3)C#N)c2C)ncc1C(F)(F)F |r,wU:13.15,(5.42,.28,;4.09,1.05,;4.09,2.59,;2.75,3.36,;1.42,2.59,;.08,3.36,;-1.25,2.59,;-1.25,1.05,;-0,.14,;-.48,-1.32,;-2.02,-1.32,;-2.79,-2.65,;-4.28,-3.05,;-3.88,-4.54,;-2.39,-4.14,;-4.65,-5.87,;-5.42,-7.21,;-2.5,.14,;-3.98,.54,;.08,4.9,;1.42,5.67,;2.75,4.9,;4.09,5.67,;5.42,4.9,;4.09,7.21,;5.42,6.44,)|
Show InChI InChI=1S/C16H18F3N7/c1-3-21-14-12(16(17,18)19)7-22-15(25-14)24-13-8-23-26(9(13)2)11-4-10(5-11)6-20/h7-8,10-11H,3-5H2,1-2H3,(H2,21,22,24,25)/t10-,11?
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384334
PNG
(US10590114, No. 29 | US11111235, No. 29 | US115913...)
Show SMILES CNc1nc(Nc2cnn(C3CN(CCC3(F)F)C3COC3)c2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19ClF5N7O/c1-24-14-10(17(21,22)23)4-25-15(28-14)27-11-5-26-30(13(11)18)12-6-29(9-7-31-8-9)3-2-16(12,19)20/h4-5,9,12H,2-3,6-8H2,1H3,(H2,24,25,27,28)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384334
PNG
(US10590114, No. 29 | US11111235, No. 29 | US115913...)
Show SMILES CNc1nc(Nc2cnn(C3CN(CCC3(F)F)C3COC3)c2Cl)ncc1C(F)(F)F
Show InChI InChI=1S/C17H19ClF5N7O/c1-24-14-10(17(21,22)23)4-25-15(28-14)27-11-5-26-30(13(11)18)12-6-29(9-7-31-8-9)3-2-16(12,19)20/h4-5,9,12H,2-3,6-8H2,1H3,(H2,24,25,27,28)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384343
PNG
(US10590114, No. 58 | US11111235, No. 32 | US115913...)
Show SMILES CCNc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C15H16F3N7/c1-2-20-13-10(15(16,17)18)7-21-14(24-13)23-11-8-22-25(12(11)6-19)9-4-3-5-9/h7-9H,2-5H2,1H3,(H2,20,21,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384346
PNG
(US10590114, No. 33 | US11111235, No. 33 | US115913...)
Show SMILES COc1nc(Nc2cn(nc2C)C(C)(C)c2ncn(C)n2)ncc1Br
Show InChI InChI=1S/C15H19BrN8O/c1-9-11(19-14-17-6-10(16)12(20-14)25-5)7-24(21-9)15(2,3)13-18-8-23(4)22-13/h6-8H,1-5H3,(H,17,19,20)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384347
PNG
(BDBM384370 | US10590114, No. 70 | US11111235, No. ...)
Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)n2nccn2)ncc1C(F)(F)F
Show InChI InChI=1S/C16H20F3N9/c1-5-20-13-10(16(17,18)19)9-21-14(25-13)24-12-8-11(26-27(12)4)15(2,3)28-22-6-7-23-28/h6-9H,5H2,1-4H3,(H2,20,21,24,25)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384349
PNG
(US10590114, No. 35A | US11111235, No. 35A | US1159...)
Show SMILES CCNc1nc(Nc2cn(nc2C)[C@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wU:15.18,wD:13.13,(4.7,.38,;3.37,1.15,;3.37,2.69,;2.03,3.46,;.7,2.69,;-.63,3.46,;-1.97,2.69,;-1.97,1.15,;-.72,.25,;-1.2,-1.22,;-2.74,-1.22,;-3.21,.25,;-4.7,.65,;-.43,-2.55,;-.83,-4.04,;.67,-4.46,;1.06,-2.95,;1.44,-5.79,;2.21,-7.13,;-.63,5,;.7,5.77,;2.08,5.03,;3.42,5.8,;4.75,6.57,;2.65,7.13,;4.19,4.47,)|
Show InChI InChI=1S/C16H18F3N7/c1-3-21-14-12(16(17,18)19)7-22-15(24-14)23-13-8-26(25-9(13)2)11-4-10(5-11)6-20/h7-8,10-11H,3-5H2,1-2H3,(H2,21,22,23,24)/t10-,11-
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384350
PNG
(US10590114, No. 35B | US11111235, No. 35B | US1159...)
Show SMILES CCNc1nc(Nc2cn(nc2C)[C@@H]2C[C@@H](C2)C#N)ncc1C(F)(F)F |r,wD:13.13,15.18,(4.7,.38,;3.37,1.15,;3.37,2.69,;2.03,3.46,;.7,2.69,;-.63,3.46,;-1.97,2.69,;-1.97,1.15,;-.72,.25,;-1.2,-1.22,;-2.74,-1.22,;-3.21,.25,;-4.7,.65,;-.43,-2.55,;1.06,-2.95,;.67,-4.46,;-.83,-4.04,;1.44,-5.79,;2.21,-7.13,;-.63,5,;.7,5.77,;2.08,5.03,;3.42,5.8,;4.75,6.57,;2.65,7.13,;4.19,4.47,)|
Show InChI InChI=1S/C16H18F3N7/c1-3-21-14-12(16(17,18)19)7-22-15(24-14)23-13-8-26(25-9(13)2)11-4-10(5-11)6-20/h7-8,10-11H,3-5H2,1-2H3,(H2,21,22,23,24)/t10-,11+
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384352
PNG
(US10590114, No. 37 | US11111235, No. 37 | US115913...)
Show SMILES COc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1Br
Show InChI InChI=1S/C13H13BrN6O/c1-21-12-9(14)6-16-13(19-12)18-10-7-17-20(11(10)5-15)8-3-2-4-8/h6-8H,2-4H2,1H3,(H,16,18,19)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384355
PNG
(BDBM384364 | US10590114, No. 48 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C16H18F3N7/c1-9-12(7-26(25-9)15(2,3)8-20)23-14-21-6-11(16(17,18)19)13(24-14)22-10-4-5-10/h6-7,10H,4-5H2,1-3H3,(H2,21,22,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384356
PNG
(US10590114, No. 39A | US11111235, No. 39A | US1159...)
Show SMILES Cc1nn(cc1Nc1ncc(c(N[C@H]2C[C@H]2F)n1)C(F)(F)F)C(C)(C)C#N |r|
Show InChI InChI=1S/C16H17F4N7/c1-8-12(6-27(26-8)15(2,3)7-21)24-14-22-5-9(16(18,19)20)13(25-14)23-11-4-10(11)17/h5-6,10-11H,4H2,1-3H3,(H2,22,23,24,25)/t10-,11+/m1/s1
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM50448118
PNG
(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384358
PNG
(US10590114, No. 41 | US11111235, No. 41 | US115913...)
Show SMILES COc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Br
Show InChI InChI=1S/C13H15BrN6O/c1-8-10(6-20(19-8)13(2,3)7-15)17-12-16-5-9(14)11(18-12)21-4/h5-6H,1-4H3,(H,16,17,18)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384359
PNG
(US10590114, No. 42 | US11111235, No. 42 | US115913...)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Br
Show InChI InChI=1S/C13H16BrN7/c1-8-10(6-21(20-8)13(2,3)7-15)18-12-17-5-9(14)11(16-4)19-12/h5-6H,1-4H3,(H2,16,17,18,19)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384360
PNG
(US10590114, No. 43 | US11111235, No. 43 | US115913...)
Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1Br
Show InChI InChI=1S/C14H18BrN7/c1-5-17-12-10(15)6-18-13(20-12)19-11-7-22(21-9(11)2)14(3,4)8-16/h6-7H,5H2,1-4H3,(H2,17,18,19,20)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384361
PNG
(BDBM384388 | BDBM384401 | US10590114, No. 89 | US1...)
Show SMILES CCNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C15H18F3N7/c1-5-20-12-10(15(16,17)18)6-21-13(23-12)22-11-7-25(24-9(11)2)14(3,4)8-19/h6-7H,5H2,1-4H3,(H2,20,21,22,23)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM50448118
PNG
(CHEMBL3122113 | US10590114, No. 80 | US11111235, N...)
Show SMILES CNc1nc(Nc2cn(nc2C)C(C)(C)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H16F3N7/c1-8-10(6-24(23-8)13(2,3)7-18)21-12-20-5-9(14(15,16)17)11(19-4)22-12/h5-6H,1-4H3,(H2,19,20,21,22)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384363
PNG
(BDBM384372 | US10590114, No. 59 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C15H16F5N7/c1-8-10(6-27(26-8)14(2,3)7-21)24-13-23-4-9(15(18,19)20)12(25-13)22-5-11(16)17/h4,6,11H,5H2,1-3H3,(H2,22,23,24,25)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384355
PNG
(BDBM384364 | US10590114, No. 48 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NC2CC2)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C16H18F3N7/c1-9-12(7-26(25-9)15(2,3)8-20)23-14-21-6-11(16(17,18)19)13(24-14)22-10-4-5-10/h6-7,10H,4-5H2,1-3H3,(H2,21,22,23,24)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384365
PNG
(US10590114, No. 50 | US11111235, No. 50 | US115913...)
Show SMILES CCNc1nc(Nc2cnn3CC(F)Cc23)ncc1C(F)(F)F
Show InChI InChI=1S/C13H14F4N6/c1-2-18-11-8(13(15,16)17)4-19-12(22-11)21-9-5-20-23-6-7(14)3-10(9)23/h4-5,7H,2-3,6H2,1H3,(H2,18,19,21,22)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384366
PNG
(US10590114, No. 52B | US11111235, No. 52B | US1159...)
Show SMILES CCNc1nc(Nc2cnn3CC(Cc23)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H14F3N7/c1-2-19-12-9(14(15,16)17)5-20-13(23-12)22-10-6-21-24-7-8(4-18)3-11(10)24/h5-6,8H,2-3,7H2,1H3,(H2,19,20,22,23)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384366
PNG
(US10590114, No. 52B | US11111235, No. 52B | US1159...)
Show SMILES CCNc1nc(Nc2cnn3CC(Cc23)C#N)ncc1C(F)(F)F
Show InChI InChI=1S/C14H14F3N7/c1-2-19-12-9(14(15,16)17)5-20-13(23-12)22-10-6-21-24-7-8(4-18)3-11(10)24/h5-6,8H,2-3,7H2,1H3,(H2,19,20,22,23)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384368
PNG
(US10590114, No. 54B | US11111235, No. 54B | US1159...)
Show SMILES CCNc1nc(Nc2cnn3CC(Cc23)n2nccn2)ncc1C(F)(F)F
Show InChI InChI=1S/C15H16F3N9/c1-2-19-13-10(15(16,17)18)6-20-14(25-13)24-11-7-23-26-8-9(5-12(11)26)27-21-3-4-22-27/h3-4,6-7,9H,2,5,8H2,1H3,(H2,19,20,24,25)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384368
PNG
(US10590114, No. 54B | US11111235, No. 54B | US1159...)
Show SMILES CCNc1nc(Nc2cnn3CC(Cc23)n2nccn2)ncc1C(F)(F)F
Show InChI InChI=1S/C15H16F3N9/c1-2-19-13-10(15(16,17)18)6-20-14(25-13)24-11-7-23-26-8-9(5-12(11)26)27-21-3-4-22-27/h3-4,6-7,9H,2,5,8H2,1H3,(H2,19,20,24,25)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384347
PNG
(BDBM384370 | US10590114, No. 70 | US11111235, No. ...)
Show SMILES CCNc1nc(Nc2cc(nn2C)C(C)(C)n2nccn2)ncc1C(F)(F)F
Show InChI InChI=1S/C16H20F3N9/c1-5-20-13-10(16(17,18)19)9-21-14(25-13)24-12-8-11(26-27(12)4)15(2,3)28-22-6-7-23-28/h6-9H,5H2,1-4H3,(H2,20,21,24,25)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384371
PNG
(US11111235, No. 58 | US11591316, Compound 58 | US9...)
Show SMILES CCNc1nc(Nc2cnn(C3CCC3)c2C#N)ncc1Br
Show InChI InChI=1S/C14H16BrN7/c1-2-17-13-10(15)7-18-14(21-13)20-11-8-19-22(12(11)6-16)9-4-3-5-9/h7-9H,2-5H2,1H3,(H2,17,18,20,21)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
Leucine-rich repeat serine/threonine-protein kinase 2 [G2019S]


(Homo sapiens (Human))
BDBM384363
PNG
(BDBM384372 | US10590114, No. 59 | US11111235, No. ...)
Show SMILES Cc1nn(cc1Nc1ncc(c(NCC(F)F)n1)C(F)(F)F)C(C)(C)C#N
Show InChI InChI=1S/C15H16F5N7/c1-8-10(6-27(26-8)14(2,3)7-21)24-13-23-4-9(15(18,19)20)12(25-13)22-5-11(16)17/h4,6,11H,5H2,1-3H3,(H2,22,23,24,25)
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Assay Description
Materials: LRRK2 G2019S enzyme Substrate (LRRKtide) ATP TR-FRET dilution buffer pLRRKtide antibody 384-well...


Bioorg Med Chem Lett 18: 2567-73 (2008)


BindingDB Entry DOI: 10.7270/Q29G5Q4M
More data for this
Ligand-Target Pair
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