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Patent code US10633348

Compile Data Set for Download or QSAR
Found 39 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM439303
PNG
(US10633348, Compound (A-17))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)
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n/an/a 17n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439316
PNG
(US10633348, Compound (A-12))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn(C)n5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-11-13-41(14-12-40)18-22-7-8-23(16-24(22)30(31,32)33)36-29(42)21-6-5-20(2)25(15-21)43-28-17-27(34-19-35-28)37-26-9-10-39(3)38-26/h5-10,15-17,19H,4,11-14,18H2,1-3H3,(H,36,42)(H,34,35,37,38)
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n/an/a 18n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439318
PNG
(US10633348, Compound (A-14))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnn(C)c5)n4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-11-13-41(14-12-40)18-22-7-8-23(16-25(22)30(31,32)33)36-28(42)21-6-5-20(2)26(15-21)43-27-9-10-34-29(38-27)37-24-17-35-39(3)19-24/h5-10,15-17,19H,4,11-14,18H2,1-3H3,(H,36,42)(H,34,37,38)
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n/an/a 27.4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM439304
PNG
(US10633348, Compound (A-2))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)CC)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,35,40)(H,33,34,36,39)
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n/an/a 28n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439303
PNG
(US10633348, Compound (A-17))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)
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n/an/a 28n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Glucokinase/Glucokinase regulatory protein


(Homo sapiens (Human))
BDBM438001
PNG
(US10633348, Compound (A-1) | US10633348, Compound ...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-4-35-9-11-36(12-10-35)16-20-7-8-21(14-22(20)27(28,29)30)34-26(37)19-6-5-18(2)23(13-19)38-25-15-24(31-3)32-17-33-25/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,37)(H,31,32,33)
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n/an/a 31n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439309
PNG
(US10633348, Compound (A-7))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cn[nH]c5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H31F3N8O2/c1-3-39-8-10-40(11-9-39)17-21-6-7-22(13-24(21)29(30,31)32)38-28(41)20-5-4-19(2)25(12-20)42-27-14-26(33-18-34-27)37-23-15-35-36-16-23/h4-7,12-16,18H,3,8-11,17H2,1-2H3,(H,35,36)(H,38,41)(H,33,34,37)
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n/an/a 33.8n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439308
PNG
(US10633348, Compound (A-6))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn[nH]5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H31F3N8O2/c1-3-39-10-12-40(13-11-39)17-21-6-7-22(15-23(21)29(30,31)32)36-28(41)20-5-4-19(2)24(14-20)42-27-16-26(33-18-34-27)37-25-8-9-35-38-25/h4-9,14-16,18H,3,10-13,17H2,1-2H3,(H,36,41)(H2,33,34,35,37,38)
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n/an/a 38.4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439303
PNG
(US10633348, Compound (A-17))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)
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n/an/a 45n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439318
PNG
(US10633348, Compound (A-14))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnn(C)c5)n4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-11-13-41(14-12-40)18-22-7-8-23(16-25(22)30(31,32)33)36-28(42)21-6-5-20(2)26(15-21)43-27-9-10-34-29(38-27)37-24-17-35-39(3)19-24/h5-10,15-17,19H,4,11-14,18H2,1-3H3,(H,36,42)(H,34,37,38)
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n/an/a 53.8n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439307
PNG
(US10633348, Compound (A-5))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cnn(C)c5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-9-11-41(12-10-40)17-22-7-8-23(14-25(22)30(31,32)33)38-29(42)21-6-5-20(2)26(13-21)43-28-15-27(34-19-35-28)37-24-16-36-39(3)18-24/h5-8,13-16,18-19H,4,9-12,17H2,1-3H3,(H,38,42)(H,34,35,37)
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n/an/a 61.8n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439308
PNG
(US10633348, Compound (A-6))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn[nH]5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H31F3N8O2/c1-3-39-10-12-40(13-11-39)17-21-6-7-22(15-23(21)29(30,31)32)36-28(41)20-5-4-19(2)24(14-20)42-27-16-26(33-18-34-27)37-25-8-9-35-38-25/h4-9,14-16,18H,3,10-13,17H2,1-2H3,(H,36,41)(H2,33,34,35,37,38)
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n/an/a 63.5n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439309
PNG
(US10633348, Compound (A-7))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cn[nH]c5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H31F3N8O2/c1-3-39-8-10-40(11-9-39)17-21-6-7-22(13-24(21)29(30,31)32)38-28(41)20-5-4-19(2)25(12-20)42-27-14-26(33-18-34-27)37-23-15-35-36-16-23/h4-7,12-16,18H,3,8-11,17H2,1-2H3,(H,35,36)(H,38,41)(H,33,34,37)
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n/an/a 71.7n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439316
PNG
(US10633348, Compound (A-12))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5ccn(C)n5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-11-13-41(14-12-40)18-22-7-8-23(16-24(22)30(31,32)33)36-29(42)21-6-5-20(2)25(15-21)43-28-17-27(34-19-35-28)37-26-9-10-39(3)38-26/h5-10,15-17,19H,4,11-14,18H2,1-3H3,(H,36,42)(H,34,35,37,38)
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n/an/a 76.2n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439305
PNG
(US10633348, Compound (A-3))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C5CC5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H33F3N6O3/c1-3-38-10-12-39(13-11-38)17-22-8-9-23(15-24(22)30(31,32)33)36-29(41)21-5-4-19(2)25(14-21)42-27-16-26(34-18-35-27)37-28(40)20-6-7-20/h4-5,8-9,14-16,18,20H,3,6-7,10-13,17H2,1-2H3,(H,36,41)(H,34,35,37,40)
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n/an/a 92n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439304
PNG
(US10633348, Compound (A-2))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)CC)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,35,40)(H,33,34,36,39)
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n/an/a 100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439307
PNG
(US10633348, Compound (A-5))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cnn(C)c5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-9-11-41(12-10-40)17-22-7-8-23(14-25(22)30(31,32)33)38-29(42)21-6-5-20(2)26(13-21)43-28-15-27(34-19-35-28)37-24-16-36-39(3)18-24/h5-8,13-16,18-19H,4,9-12,17H2,1-3H3,(H,38,42)(H,34,35,37)
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n/an/a 100n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439319
PNG
(US10633348, Compound (A-15))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnoc5)n4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H30F3N7O3/c1-3-38-10-12-39(13-11-38)17-21-6-7-22(15-24(21)29(30,31)32)35-27(40)20-5-4-19(2)25(14-20)42-26-8-9-33-28(37-26)36-23-16-34-41-18-23/h4-9,14-16,18H,3,10-13,17H2,1-2H3,(H,35,40)(H,33,36,37)
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n/an/a 116n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439319
PNG
(US10633348, Compound (A-15))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4ccnc(Nc5cnoc5)n4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H30F3N7O3/c1-3-38-10-12-39(13-11-38)17-21-6-7-22(15-24(21)29(30,31)32)35-27(40)20-5-4-19(2)25(14-20)42-26-8-9-33-28(37-26)36-23-16-34-41-18-23/h4-9,14-16,18H,3,10-13,17H2,1-2H3,(H,35,40)(H,33,36,37)
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n/an/a 136n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439305
PNG
(US10633348, Compound (A-3))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C5CC5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H33F3N6O3/c1-3-38-10-12-39(13-11-38)17-22-8-9-23(15-24(22)30(31,32)33)36-29(41)21-5-4-19(2)25(14-21)42-27-16-26(34-18-35-27)37-28(40)20-6-7-20/h4-5,8-9,14-16,18,20H,3,6-7,10-13,17H2,1-2H3,(H,36,41)(H,34,35,37,40)
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n/an/a 185n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439304
PNG
(US10633348, Compound (A-2))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)CC)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h6-9,14-16,18H,4-5,10-13,17H2,1-3H3,(H,35,40)(H,33,34,36,39)
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n/an/a 253n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM438001
PNG
(US10633348, Compound (A-1) | US10633348, Compound ...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-4-35-9-11-36(12-10-35)16-20-7-8-21(14-22(20)27(28,29)30)34-26(37)19-6-5-18(2)23(13-19)38-25-15-24(31-3)32-17-33-25/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,37)(H,31,32,33)
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n/an/a 275n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM438001
PNG
(US10633348, Compound (A-1) | US10633348, Compound ...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-4-35-9-11-36(12-10-35)16-20-7-8-21(14-22(20)27(28,29)30)34-26(37)19-6-5-18(2)23(13-19)38-25-15-24(31-3)32-17-33-25/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,37)(H,31,32,33)
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n/an/a 364n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439306
PNG
(US10633348, Compound (A-4))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(N)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H29F3N6O2/c1-3-34-8-10-35(11-9-34)15-19-6-7-20(13-21(19)26(27,28)29)33-25(36)18-5-4-17(2)22(12-18)37-24-14-23(30)31-16-32-24/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,33,36)(H2,30,31,32)
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n/an/a 382n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439317
PNG
(US10633348, Compound (A-13))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5COC5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O3/c1-3-37-8-10-38(11-9-37)15-21-6-7-22(13-24(21)29(30,31)32)36-28(39)20-5-4-19(2)25(12-20)41-27-14-26(33-18-34-27)35-23-16-40-17-23/h4-7,12-14,18,23H,3,8-11,15-17H2,1-2H3,(H,36,39)(H,33,34,35)
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n/an/a 392n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439317
PNG
(US10633348, Compound (A-13))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5COC5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H33F3N6O3/c1-3-37-8-10-38(11-9-37)15-21-6-7-22(13-24(21)29(30,31)32)36-28(39)20-5-4-19(2)25(12-20)41-27-14-26(33-18-34-27)35-23-16-40-17-23/h4-7,12-14,18,23H,3,8-11,15-17H2,1-2H3,(H,36,39)(H,33,34,35)
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n/an/a 400n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM438001
PNG
(US10633348, Compound (A-1) | US10633348, Compound ...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-4-35-9-11-36(12-10-35)16-20-7-8-21(14-22(20)27(28,29)30)34-26(37)19-6-5-18(2)23(13-19)38-25-15-24(31-3)32-17-33-25/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,37)(H,31,32,33)
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n/an/a 487n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439306
PNG
(US10633348, Compound (A-4))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(N)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C26H29F3N6O2/c1-3-34-8-10-35(11-9-34)15-19-6-7-20(13-21(19)26(27,28)29)33-25(36)18-5-4-17(2)22(12-18)37-24-14-23(30)31-16-32-24/h4-7,12-14,16H,3,8-11,15H2,1-2H3,(H,33,36)(H2,30,31,32)
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n/an/a 591n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM438001
PNG
(US10633348, Compound (A-1) | US10633348, Compound ...)
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C27H31F3N6O2/c1-4-35-9-11-36(12-10-35)16-20-7-8-21(14-22(20)27(28,29)30)34-26(37)19-6-5-18(2)23(13-19)38-25-15-24(31-3)32-17-33-25/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,37)(H,31,32,33)
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n/an/a 889n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439314
PNG
(US10633348, Compound (A-18))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N7O3/c1-4-26(40)37-36-25-16-27(34-18-33-25)42-24-14-20(7-6-19(24)3)28(41)35-22-9-8-21(23(15-22)29(30,31)32)17-39-12-10-38(5-2)11-13-39/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,41)(H,37,40)(H,33,34,36)
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n/an/a 1.75E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM439303
PNG
(US10633348, Compound (A-17))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H31F3N6O3/c1-4-26(39)36-25-16-27(34-18-33-25)41-24-14-20(7-6-19(24)3)28(40)35-22-9-8-21(23(15-22)29(30,31)32)17-38-12-10-37(5-2)11-13-38/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,40)(H,33,34,36,39)
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n/an/a 3.38E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439314
PNG
(US10633348, Compound (A-18))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(=O)C=C)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H32F3N7O3/c1-4-26(40)37-36-25-16-27(34-18-33-25)42-24-14-20(7-6-19(24)3)28(41)35-22-9-8-21(23(15-22)29(30,31)32)17-39-12-10-38(5-2)11-13-39/h4,6-9,14-16,18H,1,5,10-13,17H2,2-3H3,(H,35,41)(H,37,40)(H,33,34,36)
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n/an/a 6.98E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439312
PNG
(US10633348, Compound (A-9))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(C)=O)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H32F3N7O3/c1-4-37-9-11-38(12-10-37)16-21-7-8-22(14-23(21)28(29,30)31)34-27(40)20-6-5-18(2)24(13-20)41-26-15-25(32-17-33-26)36-35-19(3)39/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,40)(H,35,39)(H,32,33,36)
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n/an/a 7.31E+3n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439315
PNG
(US10633348, Compound (A-11))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NN(C)C)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H34F3N7O2/c1-5-37-10-12-38(13-11-37)17-21-8-9-22(15-23(21)28(29,30)31)34-27(39)20-7-6-19(2)24(14-20)40-26-16-25(32-18-33-26)35-36(3)4/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H,34,39)(H,32,33,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439315
PNG
(US10633348, Compound (A-11))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NN(C)C)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H34F3N7O2/c1-5-37-10-12-38(13-11-37)17-21-8-9-22(15-23(21)28(29,30)31)34-27(39)20-7-6-19(2)24(14-20)40-26-16-25(32-18-33-26)35-36(3)4/h6-9,14-16,18H,5,10-13,17H2,1-4H3,(H,34,39)(H,32,33,35)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439312
PNG
(US10633348, Compound (A-9))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NNC(C)=O)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C28H32F3N7O3/c1-4-37-9-11-38(12-10-37)16-21-7-8-22(14-23(21)28(29,30)31)34-27(40)20-6-5-18(2)24(13-20)41-26-15-25(32-17-33-26)36-35-19(3)39/h5-8,13-15,17H,4,9-12,16H2,1-3H3,(H,34,40)(H,35,39)(H,32,33,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Nuclear receptor subfamily 2 group C member 2


(Homo sapiens (Human))
BDBM439313
PNG
(US10633348, Compound (A-10))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5CNC5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H34F3N7O2/c1-3-38-8-10-39(11-9-38)17-21-6-7-22(13-24(21)29(30,31)32)37-28(40)20-5-4-19(2)25(12-20)41-27-14-26(34-18-35-27)36-23-15-33-16-23/h4-7,12-14,18,23,33H,3,8-11,15-17H2,1-2H3,(H,37,40)(H,34,35,36)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase HCK


(Homo sapiens (Human))
BDBM439313
PNG
(US10633348, Compound (A-10))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(NC5CNC5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C29H34F3N7O2/c1-3-38-8-10-39(11-9-38)17-21-6-7-22(13-24(21)29(30,31)32)37-28(40)20-5-4-19(2)25(12-20)41-27-14-26(34-18-35-27)36-23-15-33-16-23/h4-7,12-14,18,23,33H,3,8-11,15-17H2,1-2H3,(H,37,40)(H,34,35,36)
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase BTK


(Homo sapiens (Human))
BDBM439307
PNG
(US10633348, Compound (A-5))
Show SMILES CCN1CCN(Cc2ccc(NC(=O)c3ccc(C)c(Oc4cc(Nc5cnn(C)c5)ncn4)c3)cc2C(F)(F)F)CC1
Show InChI InChI=1S/C30H33F3N8O2/c1-4-40-9-11-41(12-10-40)17-22-7-8-23(14-25(22)30(31,32)33)38-29(42)21-6-5-20(2)26(13-21)43-28-15-27(34-19-35-28)37-24-16-36-39(3)18-24/h5-8,13-16,18-19H,4,9-12,17H2,1-3H3,(H,38,42)(H,34,35,37)
PDB
MMDB

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n/an/a>1.00E+4n/an/an/an/an/an/a



Dana-Farber Cancer Institute, Inc.

US Patent


Assay Description
The in vitro activity of the compounds described herein in inhibiting TAK1, HCK and other kinases were obtained using an Invitrogen Select Screening ...


US Patent US10633348 (2020)

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