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Patent code US10399989

Compile Data Set for Download or QSAR

Found 279 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412883
PNG
(N-[[4-[4-amino-1-(4-hydroxycyclohexyl)pyrazolo[3,4...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@H]2CC[C@H](O)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H28N6O3/c1-35-21-5-3-2-4-20(21)26(34)28-14-16-6-8-17(9-7-16)23-22-24(27)29-15-30-25(22)32(31-23)18-10-12-19(33)13-11-18/h2-9,15,18-19,33H,10-14H2,1H3,(H,28,34)(H2,27,29,30)/t18-,19-
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n/an/a 0.400n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412836
PNG
(N-[[4-(4-amino-1-cyclohex-2-en-1-yl-pyrazolo[3,4-d...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC=C2)c2ncnc(N)c12
Show InChI InChI=1S/C26H26N6O2/c1-34-21-10-6-5-9-20(21)26(33)28-15-17-11-13-18(14-12-17)23-22-24(27)29-16-30-25(22)32(31-23)19-7-3-2-4-8-19/h3,5-7,9-14,16,19H,2,4,8,15H2,1H3,(H,28,33)(H2,27,29,30)
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n/an/a 0.400n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412838
PNG
(N-[[4-(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimid...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C24H26N6O2/c1-24(2,3)30-22-19(21(25)27-14-28-22)20(29-30)16-11-9-15(10-12-16)13-26-23(31)17-7-5-6-8-18(17)32-4/h5-12,14H,13H2,1-4H3,(H,26,31)(H2,25,27,28)
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n/an/a 0.600n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412841
PNG
(N-[[4-[4-amino-1-[(1R,4R)-4-fluorocyclopent-2-en-1...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](F)C=C2)c2ncnc(N)c12
Show InChI InChI=1S/C25H23FN6O2/c1-34-20-5-3-2-4-19(20)25(33)28-13-15-6-8-16(9-7-15)22-21-23(27)29-14-30-24(21)32(31-22)18-11-10-17(26)12-18/h2-11,14,17-18H,12-13H2,1H3,(H,28,33)(H2,27,29,30)/t17-,18-/m0/s1
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n/an/a 0.700n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412788
PNG
(N-[[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H25FN6O2/c1-34-20-11-10-17(26)12-19(20)25(33)28-13-15-6-8-16(9-7-15)22-21-23(27)29-14-30-24(21)32(31-22)18-4-2-3-5-18/h6-12,14,18H,2-5,13H2,1H3,(H,28,33)(H2,27,29,30)
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n/an/a 0.800n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412843
PNG
(N-[[4-[4-amino-1-[(1R)-indan-1-yl]pyrazolo[3,4-d]p...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CCc3ccccc23)c2ncnc(N)c12
Show InChI InChI=1S/C29H26N6O2/c1-37-24-9-5-4-8-22(24)29(36)31-16-18-10-12-20(13-11-18)26-25-27(30)32-17-33-28(25)35(34-26)23-15-14-19-6-2-3-7-21(19)23/h2-13,17,23H,14-16H2,1H3,(H,31,36)(H2,30,32,33)/t23-/m1/s1
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n/an/a 1.20n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412828
PNG
(Ethyl 3-[4-amino-3-[4-[[(2-methoxybenzoyl)amino]me...)
Show SMILES CCOC(=O)C1CCCC(C1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H32N6O4/c1-3-39-29(37)20-7-6-8-21(15-20)35-27-24(26(30)32-17-33-27)25(34-35)19-13-11-18(12-14-19)16-31-28(36)22-9-4-5-10-23(22)38-2/h4-5,9-14,17,20-21H,3,6-8,15-16H2,1-2H3,(H,31,36)(H2,30,32,33)
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n/an/a 1.20n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412826
PNG
(N-[[4-[4-amino-1-(4-methoxycyclohexyl)pyrazolo[3,4...)
Show SMILES COC1CCC(CC1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C27H30N6O3/c1-35-20-13-11-19(12-14-20)33-26-23(25(28)30-16-31-26)24(32-33)18-9-7-17(8-10-18)15-29-27(34)21-5-3-4-6-22(21)36-2/h3-10,16,19-20H,11-15H2,1-2H3,(H,29,34)(H2,28,30,31)
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n/an/a 1.40n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412816
PNG
(N-[[4-[4-amino-1-[(1R,4R)-4-hydroxycyclopent-2-en-...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(CC2)C(O)=O)c2ncnc(N)c12
Show InChI InChI=1S/C27H28N6O4/c1-37-21-5-3-2-4-20(21)26(34)29-14-16-6-8-17(9-7-16)23-22-24(28)30-15-31-25(22)33(32-23)19-12-10-18(11-13-19)27(35)36/h2-9,15,18-19H,10-14H2,1H3,(H,29,34)(H,35,36)(H2,28,30,31)
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n/an/a 1.40n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412824
PNG
(N-[[4-[4-amino-1-(3-hydroxycyclohexyl)pyrazolo[3,4...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC(O)C2)c2ncnc(N)c12
Show InChI InChI=1S/C26H28N6O3/c1-35-21-8-3-2-7-20(21)26(34)28-14-16-9-11-17(12-10-16)23-22-24(27)29-15-30-25(22)32(31-23)18-5-4-6-19(33)13-18/h2-3,7-12,15,18-19,33H,4-6,13-14H2,1H3,(H,28,34)(H2,27,29,30)
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n/an/a 1.70n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412810
PNG
(N-[[4-[4-amino-1-[(1R*,3S*)-3-hydroxycyclopentyl]p...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CC[C@H](O)C2)c2ncnc(N)c12
Show InChI InChI=1S/C25H26N6O3/c1-34-20-5-3-2-4-19(20)25(33)27-13-15-6-8-16(9-7-15)22-21-23(26)28-14-29-24(21)31(30-22)17-10-11-18(32)12-17/h2-9,14,17-18,32H,10-13H2,1H3,(H,27,33)(H2,26,28,29)/t17-,18+/m1/s1
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n/an/a 2.20n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412853
PNG
(N-[[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1F)-c1nn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H25FN6O2/c1-34-20-9-5-4-8-18(20)25(33)28-13-16-11-10-15(12-19(16)26)22-21-23(27)29-14-30-24(21)32(31-22)17-6-2-3-7-17/h4-5,8-12,14,17H,2-3,6-7,13H2,1H3,(H,28,33)(H2,27,29,30)
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n/an/a 4n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412825
PNG
(US10399989, Example 38 | US10611766, Example 38)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-n1nc(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H26N6O2/c1-33-20-9-5-4-8-19(20)25(32)27-14-16-10-12-18(13-11-16)31-23-22(28-15-29-24(23)26)21(30-31)17-6-2-3-7-17/h4-5,8-13,15,17H,2-3,6-7,14H2,1H3,(H,27,32)(H2,26,28,29)
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n/an/a<10n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412829
PNG
(US10399989, Example 42 | US10611766, Example 42)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC(C2)C(=O)N(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C29H33N7O3/c1-35(2)29(38)20-7-6-8-21(15-20)36-27-24(26(30)32-17-33-27)25(34-36)19-13-11-18(12-14-19)16-31-28(37)22-9-4-5-10-23(22)39-3/h4-5,9-14,17,20-21H,6-8,15-16H2,1-3H3,(H,31,37)(H2,30,32,33)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412831
PNG
(US10399989, Example 44 | US10611766, Example 44)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@H]2C[C@@H](O)C=C2)c2ncnc(N)c12
Show InChI InChI=1S/C25H24N6O3/c1-34-20-5-3-2-4-19(20)25(33)27-13-15-6-8-16(9-7-15)22-21-23(26)28-14-29-24(21)31(30-22)17-10-11-18(32)12-17/h2-11,14,17-18,32H,12-13H2,1H3,(H,27,33)(H2,26,28,29)/t17-,18+/m1/s1
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412831
PNG
(US10399989, Example 44 | US10611766, Example 44)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@H]2C[C@@H](O)C=C2)c2ncnc(N)c12
Show InChI InChI=1S/C25H24N6O3/c1-34-20-5-3-2-4-19(20)25(33)27-13-15-6-8-16(9-7-15)22-21-23(26)28-14-29-24(21)31(30-22)17-10-11-18(32)12-17/h2-11,14,17-18,32H,12-13H2,1H3,(H,27,33)(H2,26,28,29)/t17-,18+/m1/s1
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n/an/a<10n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412836
PNG
(N-[[4-(4-amino-1-cyclohex-2-en-1-yl-pyrazolo[3,4-d...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC=C2)c2ncnc(N)c12
Show InChI InChI=1S/C26H26N6O2/c1-34-21-10-6-5-9-20(21)26(33)28-15-17-11-13-18(14-12-17)23-22-24(27)29-16-30-25(22)32(31-23)19-7-3-2-4-8-19/h3,5-7,9-14,16,19H,2,4,8,15H2,1H3,(H,28,33)(H2,27,29,30)
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n/an/a<10n/an/an/an/an/an/a



Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412838
PNG
(N-[[4-(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimid...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C24H26N6O2/c1-24(2,3)30-22-19(21(25)27-14-28-22)20(29-30)16-11-9-15(10-12-16)13-26-23(31)17-7-5-6-8-18(17)32-4/h5-12,14H,13H2,1-4H3,(H,26,31)(H2,25,27,28)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412839
PNG
(US10399989, Example 52 | US10611766, Example 52)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CC3CC3C2)c2ncnc(N)c12
Show InChI InChI=1S/C26H26N6O2/c1-34-21-5-3-2-4-20(21)26(33)28-13-15-6-8-16(9-7-15)23-22-24(27)29-14-30-25(22)32(31-23)19-11-17-10-18(17)12-19/h2-9,14,17-19H,10-13H2,1H3,(H,28,33)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412840
PNG
(US10399989, Example 53 | US10611766, Example 53)
Show SMILES COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](O)C=C2)c2ncnc(N)c12
Show InChI InChI=1S/C25H23FN6O3/c1-35-20-9-6-16(26)10-19(20)25(34)28-12-14-2-4-15(5-3-14)22-21-23(27)29-13-30-24(21)32(31-22)17-7-8-18(33)11-17/h2-10,13,17-18,33H,11-12H2,1H3,(H,28,34)(H2,27,29,30)/t17-,18-/m0/s1
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412852
PNG
(US10399989, Example 65 | US10611766, Example 65)
Show SMILES COc1ccc(C)cc1C(=O)NCc1ccc(cc1F)-c1nn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H27FN6O2/c1-15-7-10-21(35-2)19(11-15)26(34)29-13-17-9-8-16(12-20(17)27)23-22-24(28)30-14-31-25(22)33(32-23)18-5-3-4-6-18/h7-12,14,18H,3-6,13H2,1-2H3,(H,29,34)(H2,28,30,31)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412853
PNG
(N-[[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1F)-c1nn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H25FN6O2/c1-34-20-9-5-4-8-18(20)25(33)28-13-16-11-10-15(12-19(16)26)22-21-23(27)29-14-30-24(21)32(31-22)17-6-2-3-7-17/h4-5,8-12,14,17H,2-3,6-7,13H2,1H3,(H,28,33)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412864
PNG
(US10399989, Example 77 | US10611766, Example 77)
Show SMILES COc1ccccc1C(=O)NCc1ccc(-c2nn(C3CCCC3)c3ncnc(N)c23)c(OC)c1
Show InChI InChI=1S/C26H28N6O3/c1-34-20-10-6-5-9-19(20)26(33)28-14-16-11-12-18(21(13-16)35-2)23-22-24(27)29-15-30-25(22)32(31-23)17-7-3-4-8-17/h5-6,9-13,15,17H,3-4,7-8,14H2,1-2H3,(H,28,33)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412863
PNG
(US10399989, Example 76 | US10399989, Example 78 | ...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C(C)C)c2ncnc(N)c12
Show InChI InChI=1S/C23H24N6O2/c1-14(2)29-22-19(21(24)26-13-27-22)20(28-29)16-10-8-15(9-11-16)12-25-23(30)17-6-4-5-7-18(17)31-3/h4-11,13-14H,12H2,1-3H3,(H,25,30)(H2,24,26,27)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412879
PNG
(US10399989, Example 92)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(C)(O)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C27H30N6O3/c1-27(35)13-11-19(12-14-27)33-25-22(24(28)30-16-31-25)23(32-33)18-9-7-17(8-10-18)15-29-26(34)20-5-3-4-6-21(20)36-2/h3-10,16,19,35H,11-15H2,1-2H3,(H,29,34)(H2,28,30,31)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412788
PNG
(N-[[4-(4-amino-1-cyclopentyl-pyrazolo[3,4-d]pyrimi...)
Show SMILES COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H25FN6O2/c1-34-20-11-10-17(26)12-19(20)25(33)28-13-15-6-8-16(9-7-15)22-21-23(27)29-14-30-24(21)32(31-22)18-4-2-3-5-18/h6-12,14,18H,2-5,13H2,1H3,(H,28,33)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412796
PNG
(US10399989, Example 12 | US10611766, Example 12)
Show SMILES COc1ccc(C)cc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H28N6O2/c1-16-7-12-21(34-2)20(13-16)26(33)28-14-17-8-10-18(11-9-17)23-22-24(27)29-15-30-25(22)32(31-23)19-5-3-4-6-19/h7-13,15,19H,3-6,14H2,1-2H3,(H,28,33)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412806
PNG
(US10399989, Example 21 | US10611766, Example 21)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(=O)C2)c2ncnc(N)c12
Show InChI InChI=1S/C25H24N6O3/c1-34-20-5-3-2-4-19(20)25(33)27-13-15-6-8-16(9-7-15)22-21-23(26)28-14-29-24(21)31(30-22)17-10-11-18(32)12-17/h2-9,14,17H,10-13H2,1H3,(H,27,33)(H2,26,28,29)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412806
PNG
(US10399989, Example 21 | US10611766, Example 21)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(=O)C2)c2ncnc(N)c12
Show InChI InChI=1S/C25H24N6O3/c1-34-20-5-3-2-4-19(20)25(33)27-13-15-6-8-16(9-7-15)22-21-23(26)28-14-29-24(21)31(30-22)17-10-11-18(32)12-17/h2-9,14,17H,10-13H2,1H3,(H,27,33)(H2,26,28,29)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412808
PNG
(US10399989, Example 23-isomer1 | US10399989, Examp...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(O)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H28N6O3/c1-35-21-5-3-2-4-20(21)26(34)28-14-16-6-8-17(9-7-16)23-22-24(27)29-15-30-25(22)32(31-23)18-10-12-19(33)13-11-18/h2-9,15,18-19,33H,10-14H2,1H3,(H,28,34)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412811
PNG
(US10399989, Example 25 | US10611766, Example 25)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC3(C2)OCCO3)c2ncnc(N)c12
Show InChI InChI=1S/C27H28N6O4/c1-35-21-5-3-2-4-20(21)26(34)29-15-17-6-8-18(9-7-17)23-22-24(28)30-16-31-25(22)33(32-23)19-10-11-27(14-19)36-12-13-37-27/h2-9,16,19H,10-15H2,1H3,(H,29,34)(H2,28,30,31)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412815
PNG
(US10399989, Example 29 | US10611766, Example 29)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H26N6O3/c1-33-20-5-3-2-4-19(20)25(32)27-14-16-6-8-17(9-7-16)22-21-23(26)28-15-29-24(21)31(30-22)18-10-12-34-13-11-18/h2-9,15,18H,10-14H2,1H3,(H,27,32)(H2,26,28,29)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412830
PNG
(US10399989, Example 43 | US10611766, Example 43)
Show SMILES COc1ccc(F)cc1C(=O)NCc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C24H25FN6O2/c1-24(2,3)31-22-19(21(26)28-13-29-22)20(30-31)15-7-5-14(6-8-15)12-27-23(32)17-11-16(25)9-10-18(17)33-4/h5-11,13H,12H2,1-4H3,(H,27,32)(H2,26,28,29)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412792
PNG
(US10399989, Example 8)
Show SMILES CC(C)Oc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC2)c2ncnc(N)c12
Show InChI InChI=1S/C27H30N6O2/c1-17(2)35-22-10-6-5-9-21(22)27(34)29-15-18-11-13-19(14-12-18)24-23-25(28)30-16-31-26(23)33(32-24)20-7-3-4-8-20/h5-6,9-14,16-17,20H,3-4,7-8,15H2,1-2H3,(H,29,34)(H2,28,30,31)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412804
PNG
(US10399989, Example 19 | US10611766, Example 19)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC3(CC2)OCCO3)c2ncnc(N)c12
Show InChI InChI=1S/C28H30N6O4/c1-36-22-5-3-2-4-21(22)27(35)30-16-18-6-8-19(9-7-18)24-23-25(29)31-17-32-26(23)34(33-24)20-10-12-28(13-11-20)37-14-15-38-28/h2-9,17,20H,10-16H2,1H3,(H,30,35)(H2,29,31,32)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412812
PNG
(US10399989, Example 26 | US10611766, Example 26)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(=O)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H26N6O3/c1-35-21-5-3-2-4-20(21)26(34)28-14-16-6-8-17(9-7-16)23-22-24(27)29-15-30-25(22)32(31-23)18-10-12-19(33)13-11-18/h2-9,15,18H,10-14H2,1H3,(H,28,34)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412815
PNG
(US10399989, Example 29 | US10611766, Example 29)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCOCC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H26N6O3/c1-33-20-5-3-2-4-19(20)25(32)27-14-16-6-8-17(9-7-16)22-21-23(26)28-15-29-24(21)31(30-22)18-10-12-34-13-11-18/h2-9,15,18H,10-14H2,1H3,(H,27,32)(H2,26,28,29)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412823
PNG
(US10399989, Example 36 | US10611766, Example 36)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](O)C=C2)c2ncnc(N)c12
Show InChI InChI=1S/C25H24N6O3/c1-34-20-5-3-2-4-19(20)25(33)27-13-15-6-8-16(9-7-15)22-21-23(26)28-14-29-24(21)31(30-22)17-10-11-18(32)12-17/h2-11,14,17-18,32H,12-13H2,1H3,(H,27,33)(H2,26,28,29)/t17-,18-/m0/s1
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412827
PNG
(US10399989, Example 40 | US10611766, Example 40)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CC=CC2)c2ncnc(N)c12
Show InChI InChI=1S/C25H24N6O2/c1-33-20-9-5-4-8-19(20)25(32)27-14-16-10-12-17(13-11-16)22-21-23(26)28-15-29-24(21)31(30-22)18-6-2-3-7-18/h2-5,8-13,15,18H,6-7,14H2,1H3,(H,27,32)(H2,26,28,29)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412834
PNG
(US10399989, Example 47 | US10611766, Example 47)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@H](O)C=C2)c2ncnc(N)c12
Show InChI InChI=1S/C25H24N6O3/c1-34-20-5-3-2-4-19(20)25(33)27-13-15-6-8-16(9-7-15)22-21-23(26)28-14-29-24(21)31(30-22)17-10-11-18(32)12-17/h2-11,14,17-18,32H,12-13H2,1H3,(H,27,33)(H2,26,28,29)/t17-,18+/m0/s1
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412838
PNG
(N-[[4-(4-amino-1-tert-butyl-pyrazolo[3,4-d]pyrimid...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(c2ncnc(N)c12)C(C)(C)C
Show InChI InChI=1S/C24H26N6O2/c1-24(2,3)30-22-19(21(25)27-14-28-22)20(29-30)16-11-9-15(10-12-16)13-26-23(31)17-7-5-6-8-18(17)32-4/h5-12,14H,13H2,1-4H3,(H,26,31)(H2,25,27,28)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412843
PNG
(N-[[4-[4-amino-1-[(1R)-indan-1-yl]pyrazolo[3,4-d]p...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2CCc3ccccc23)c2ncnc(N)c12
Show InChI InChI=1S/C29H26N6O2/c1-37-24-9-5-4-8-22(24)29(36)31-16-18-10-12-20(13-11-18)26-25-27(30)32-17-33-28(25)35(34-26)23-15-14-19-6-2-3-7-21(19)23/h2-13,17,23H,14-16H2,1H3,(H,31,36)(H2,30,32,33)/t23-/m1/s1
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412847
PNG
(US10399989, Example 60 | US10611766, Example 60)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@@H](NC(C)=O)C=C2)c2ncnc(N)c12
Show InChI InChI=1S/C27H27N7O3/c1-16(35)32-19-11-12-20(13-19)34-26-23(25(28)30-15-31-26)24(33-34)18-9-7-17(8-10-18)14-29-27(36)21-5-3-4-6-22(21)37-2/h3-12,15,19-20H,13-14H2,1-2H3,(H,29,36)(H,32,35)(H2,28,30,31)/t19-,20-/m0/s1
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412848
PNG
(US10399989, Example 61 | US10611766, Example 61)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@H](C=C2)n2ccnn2)c2ncnc(N)c12
Show InChI InChI=1S/C27H25N9O2/c1-38-22-5-3-2-4-21(22)27(37)29-15-17-6-8-18(9-7-17)24-23-25(28)30-16-31-26(23)36(33-24)20-11-10-19(14-20)35-13-12-32-34-35/h2-13,16,19-20H,14-15H2,1H3,(H,29,37)(H2,28,30,31)/t19-,20-/m0/s1
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412848
PNG
(US10399989, Example 61 | US10611766, Example 61)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn([C@@H]2C[C@H](C=C2)n2ccnn2)c2ncnc(N)c12
Show InChI InChI=1S/C27H25N9O2/c1-38-22-5-3-2-4-21(22)27(37)29-15-17-6-8-18(9-7-17)24-23-25(28)30-16-31-26(23)36(33-24)20-11-10-19(14-20)35-13-12-32-34-35/h2-13,16,19-20H,14-15H2,1H3,(H,29,37)(H2,28,30,31)/t19-,20-/m0/s1
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412849
PNG
(US10399989, Example 62 | US10611766, Example 62)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(C)C2)c2ncnc(N)c12
Show InChI InChI=1S/C26H28N6O2/c1-16-7-12-19(13-16)32-25-22(24(27)29-15-30-25)23(31-32)18-10-8-17(9-11-18)14-28-26(33)20-5-3-4-6-21(20)34-2/h3-6,8-11,15-16,19H,7,12-14H2,1-2H3,(H,28,33)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412878
PNG
(US10399989, Example 91 | US10611766, Example 92)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(C)(O)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C27H30N6O3/c1-27(35)13-11-19(12-14-27)33-25-22(24(28)30-16-31-25)23(32-33)18-9-7-17(8-10-18)15-29-26(34)20-5-3-4-6-21(20)36-2/h3-10,16,19,35H,11-15H2,1-2H3,(H,29,34)(H2,28,30,31)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412808
PNG
(US10399989, Example 23-isomer1 | US10399989, Examp...)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCC(O)CC2)c2ncnc(N)c12
Show InChI InChI=1S/C26H28N6O3/c1-35-21-5-3-2-4-20(21)26(34)28-14-16-6-8-17(9-7-16)23-22-24(27)29-15-30-25(22)32(31-23)18-10-12-19(33)13-11-18/h2-9,15,18-19,33H,10-14H2,1H3,(H,28,34)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK (C481S)


(Homo sapiens (Human))
BDBM412817
PNG
(US10399989, Example 31 | US10611766, Example 31)
Show SMILES COc1ccccc1C(=O)NCc1ccc(cc1)-c1nn(C2CCCC(=O)C2)c2ncnc(N)c12
Show InChI InChI=1S/C26H26N6O3/c1-35-21-8-3-2-7-20(21)26(34)28-14-16-9-11-17(12-10-16)23-22-24(27)29-15-30-25(22)32(31-23)18-5-4-6-19(33)13-18/h2-3,7-12,15,18H,4-6,13-14H2,1H3,(H,28,34)(H2,27,29,30)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKC481S binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. ...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM412818
PNG
(US10399989, Example 32 | US10611766, Example 32)
Show SMILES CCOC(=O)C1CCC(CC1)n1nc(-c2ccc(CNC(=O)c3ccccc3OC)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C29H32N6O4/c1-3-39-29(37)20-12-14-21(15-13-20)35-27-24(26(30)32-17-33-27)25(34-35)19-10-8-18(9-11-19)16-31-28(36)22-6-4-5-7-23(22)38-2/h4-11,17,20-21H,3,12-16H2,1-2H3,(H,31,36)(H2,30,32,33)
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Loxo Oncology, Inc.

US Patent


Assay Description
BTKWT binding affinity of each compound tested was determined using a time-resolved fluorescence resonance energy transfer (TR-FRET) methodology. 2.5...


US Patent US10399989 (2019)


BindingDB Entry DOI: 10.7270/Q2X92DPS
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%