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Patent code US10800761

Compile Data Set for Download or QSAR
Found 113 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
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466768
PNG
(US10800761, Example 87)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(C)ccc1N1C[C@@H](N)C[C@H]1CO
Show InChI InChI=1S/C24H26FN5O3/c1-14-6-7-20(30-12-15(26)11-16(30)13-31)19(10-14)29-24(32)18-8-9-27-23(28-18)22-17(25)4-3-5-21(22)33-2/h3-10,15-16,31H,11-13,26H2,1-2H3,(H,29,32)/t15-,16-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466687
PNG
(US10800761, Example 6)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@@H](N)C[C@H]1CO
Show InChI InChI=1S/C23H23F2N5O3/c1-33-20-4-2-3-16(25)21(20)22-27-8-7-17(28-22)23(32)29-18-9-13(24)5-6-19(18)30-11-14(26)10-15(30)12-31/h2-9,14-15,31H,10-12,26H2,1H3,(H,29,32)/t14-,15-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466725
PNG
(US10800761, Example 44)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1ccncc1OC
Show InChI InChI=1S/C29H29FN6O4/c1-39-25-5-3-4-21(30)27(25)28-33-11-9-23(34-28)29(38)35-22-7-6-17(20-8-10-32-14-26(20)40-2)12-24(22)36-15-18(31)13-19(36)16-37/h3-12,14,18-19,37H,13,15-16,31H2,1-2H3,(H,35,38)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466723
PNG
(US10800761, Example 42 | US10800761, Example 55 | ...)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-14-33-9-7-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466764
PNG
(US10800761, Example 83)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1[C@@H]1CC[C@H](N)CC1)-c1c(cnn1C)C#N
Show InChI InChI=1S/C29H28FN7O2/c1-37-27(19(15-31)16-34-37)18-8-11-23(21(14-18)17-6-9-20(32)10-7-17)36-29(38)24-12-13-33-28(35-24)26-22(30)4-3-5-25(26)39-2/h3-5,8,11-14,16-17,20H,6-7,9-10,32H2,1-2H3,(H,36,38)/t17-,20+
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466780
PNG
(US10800761, Example 99)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@]2(CO)C[C@H]1CN2C)-c1cnccc1C#N
Show InChI InChI=1S/C31H28FN7O3/c1-38-16-21-13-31(38,18-40)17-39(21)26-12-19(22-15-34-10-8-20(22)14-33)6-7-24(26)37-30(41)25-9-11-35-29(36-25)28-23(32)4-3-5-27(28)42-2/h3-12,15,21,40H,13,16-18H2,1-2H3,(H,37,41)/t21-,31-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466784
PNG
(US10800761, Example 103)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CCN2[C@@H](COC2=O)C1)-c1cnccc1C#N
Show InChI InChI=1S/C30H24FN7O4/c1-41-26-4-2-3-22(31)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-18(21-15-33-9-7-19(21)14-32)13-25(23)37-11-12-38-20(16-37)17-42-30(38)40/h2-10,13,15,20H,11-12,16-17H2,1H3,(H,36,39)/t20-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466694
PNG
(US10800761, Example 13)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)cc(Br)c1N1C[C@H]2C[C@@H]1CN2
Show InChI InChI=1S/C23H20BrF2N5O2/c1-33-19-4-2-3-16(26)20(19)22-27-6-5-17(29-22)23(32)30-18-8-12(25)7-15(24)21(18)31-11-13-9-14(31)10-28-13/h2-8,13-14,28H,9-11H2,1H3,(H,30,32)/t13-,14-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466701
PNG
(US10800761, Example 20)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(cc1N1C[C@@H]2C[C@H]1CN2)-c1ccc(CO)nc1
Show InChI InChI=1S/C29H26F2N6O3/c1-40-26-4-2-3-21(30)27(26)28-32-8-7-23(35-28)29(39)36-24-11-22(31)20(16-5-6-17(15-38)33-12-16)10-25(24)37-14-18-9-19(37)13-34-18/h2-8,10-12,18-19,34,38H,9,13-15H2,1H3,(H,36,39)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466704
PNG
(US10800761, Example 23)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(cc1N1C[C@@H]2C[C@H]1CN2)-c1cccnc1C
Show InChI InChI=1S/C29H26F2N6O2/c1-16-19(5-4-9-32-16)20-12-25(37-15-17-11-18(37)14-34-17)24(13-22(20)31)36-29(38)23-8-10-33-28(35-23)27-21(30)6-3-7-26(27)39-2/h3-10,12-13,17-18,34H,11,14-15H2,1-2H3,(H,36,38)/t17-,18-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466706
PNG
(US10800761, Example 25)
Show SMILES COc1ccncc1-c1ccc(NC(=O)c2ccnc(n2)-c2c(F)cccc2OC)c(c1)N1C[C@@H]2C[C@H]1CN2
Show InChI InChI=1S/C29H27FN6O3/c1-38-25-9-10-31-15-20(25)17-6-7-22(24(12-17)36-16-18-13-19(36)14-33-18)35-29(37)23-8-11-32-28(34-23)27-21(30)4-3-5-26(27)39-2/h3-12,15,18-19,33H,13-14,16H2,1-2H3,(H,35,37)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466708
PNG
(US10800761, Example 27)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H]2C[C@H]1CN2)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C29H30FN7O2/c1-16-26(17(2)36(3)35-16)18-8-9-22(24(12-18)37-15-19-13-20(37)14-32-19)34-29(38)23-10-11-31-28(33-23)27-21(30)6-5-7-25(27)39-4/h5-12,19-20,32H,13-15H2,1-4H3,(H,34,38)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466715
PNG
(US10800761, Example 34)
Show SMILES CCCNC(=O)N1C[C@H]2C[C@@H]1CN2c1ccc(F)cc1NC(=O)c1ccnc(n1)-c1c(F)cccc1OC
Show InChI InChI=1S/C27H28F2N6O3/c1-3-10-31-27(37)35-15-17-13-18(35)14-34(17)22-8-7-16(28)12-21(22)33-26(36)20-9-11-30-25(32-20)24-19(29)5-4-6-23(24)38-2/h4-9,11-12,17-18H,3,10,13-15H2,1-2H3,(H,31,37)(H,33,36)/t17-,18-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466724
PNG
(US10800761, Example 43)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cccnc1C
Show InChI InChI=1S/C29H29FN6O3/c1-17-21(5-4-11-32-17)18-8-9-23(25(13-18)36-15-19(31)14-20(36)16-37)35-29(38)24-10-12-33-28(34-24)27-22(30)6-3-7-26(27)39-2/h3-13,19-20,37H,14-16,31H2,1-2H3,(H,35,38)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466727
PNG
(US10800761, Example 46)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1ncccc1C#N
Show InChI InChI=1S/C29H26FN7O3/c1-40-25-6-2-5-21(30)26(25)28-34-11-9-23(35-28)29(39)36-22-8-7-17(27-18(14-31)4-3-10-33-27)12-24(22)37-15-19(32)13-20(37)16-38/h2-12,19-20,38H,13,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466732
PNG
(US10800761, Example 51)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@H](C)NC[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C30H28FN7O3/c1-18-16-38(21(17-39)14-35-18)26-12-19(22-15-33-10-8-20(22)13-32)6-7-24(26)37-30(40)25-9-11-34-29(36-25)28-23(31)4-3-5-27(28)41-2/h3-12,15,18,21,35,39H,14,16-17H2,1-2H3,(H,37,40)/t18-,21-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466734
PNG
(US10800761, Example 53)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1C1(O)CC1)-c1cnccc1C#N
Show InChI InChI=1S/C31H28FN7O3/c1-42-26-4-2-3-22(32)28(26)29-36-12-8-24(37-29)30(40)38-23-6-5-18(21-16-35-11-7-19(21)15-33)13-25(23)39-17-20(34)14-27(39)31(41)9-10-31/h2-8,11-13,16,20,27,41H,9-10,14,17,34H2,1H3,(H,38,40)/t20-,27-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466749
PNG
(US10800761, Example 68)
Show SMILES COc1ccc(F)c(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@@H](N)C[C@H]1CO
Show InChI InChI=1S/C23H22F3N5O3/c1-34-19-5-3-15(25)21(26)20(19)22-28-7-6-16(29-22)23(33)30-17-8-12(24)2-4-18(17)31-10-13(27)9-14(31)11-32/h2-8,13-14,32H,9-11,27H2,1H3,(H,30,33)/t13-,14-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466754
PNG
(US10800761, Example 73 | US10800761, Example 75)
Show SMILES COc1c(F)ccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H25F2N7O3/c1-41-27-22(31)4-3-21(30)26(27)28-35-9-7-24(36-28)29(40)37-23-5-2-16(20-13-34-8-6-17(20)12-32)10-25(23)38-14-18(33)11-19(38)15-39/h2-10,13,18-19,39H,11,14-15,33H2,1H3,(H,37,40)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466760
PNG
(US10800761, Example 79)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccccc1[C@@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-31-21-8-4-6-18(25)22(21)23-27-14-13-20(28-23)24(30)29-19-7-3-2-5-17(19)15-9-11-16(26)12-10-15/h2-8,13-16H,9-12,26H2,1H3,(H,29,30)/t15-,16+
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466763
PNG
(US10800761, Example 82)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1[C@H]1CC[C@H](N)CC1)-c1cnccc1C#N
Show InChI InChI=1S/C30H27FN6O2/c1-39-27-4-2-3-24(31)28(27)29-35-14-12-26(36-29)30(38)37-25-10-7-19(23-17-34-13-11-20(23)16-32)15-22(25)18-5-8-21(33)9-6-18/h2-4,7,10-15,17-18,21H,5-6,8-9,33H2,1H3,(H,37,38)/t18-,21-
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466765
PNG
(US10800761, Example 84)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1[C@@H]1CC[C@H](N)CC1)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C30H33FN6O2/c1-17-27(18(2)37(3)36-17)20-10-13-24(22(16-20)19-8-11-21(32)12-9-19)35-30(38)25-14-15-33-29(34-25)28-23(31)6-5-7-26(28)39-4/h5-7,10,13-16,19,21H,8-9,11-12,32H2,1-4H3,(H,35,38)/t19-,21+
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466766
PNG
(US10800761, Example 85)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)S(C)(=O)=O
Show InChI InChI=1S/C24H26FN5O5S/c1-35-21-5-3-4-17(25)22(21)23-27-9-8-19(28-23)24(32)29-18-7-6-16(36(2,33)34)11-20(18)30-12-14(26)10-15(30)13-31/h3-9,11,14-15,31H,10,12-13,26H2,1-2H3,(H,29,32)/t14-,15-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466775
PNG
(US10800761, Example 94)
Show SMILES N[C@H]1C[C@@H](CO)N(C1)c1cc(ccc1NC(=O)c1ccnc(n1)-c1c(F)cccc1F)C1(CC1)C#N
Show InChI InChI=1S/C26H24F2N6O2/c27-18-2-1-3-19(28)23(18)24-31-9-6-21(32-24)25(36)33-20-5-4-15(26(14-29)7-8-26)10-22(20)34-12-16(30)11-17(34)13-35/h1-6,9-10,16-17,35H,7-8,11-13,30H2,(H,33,36)/t16-,17-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466776
PNG
(US10800761, Example 95)
Show SMILES N[C@H]1C[C@@H](CO)N(C1)c1cc(ccc1NC(=O)c1ccnc(n1)-c1c(F)cccc1OC(F)F)-c1cnccc1C#N
Show InChI InChI=1S/C29H24F3N7O3/c30-21-2-1-3-25(42-29(31)32)26(21)27-36-9-7-23(37-27)28(41)38-22-5-4-16(20-13-35-8-6-17(20)12-33)10-24(22)39-14-18(34)11-19(39)15-40/h1-10,13,18-19,29,40H,11,14-15,34H2,(H,38,41)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466781
PNG
(US10800761, Example 100)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CCO[C@H](CO)C1)-c1cnccc1C#N
Show InChI InChI=1S/C29H25FN6O4/c1-39-26-4-2-3-22(30)27(26)28-33-10-8-24(34-28)29(38)35-23-6-5-18(21-15-32-9-7-19(21)14-31)13-25(23)36-11-12-40-20(16-36)17-37/h2-10,13,15,20,37H,11-12,16-17H2,1H3,(H,35,38)/t20-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466789
PNG
(US10800761, Example 108)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CCN(C)CC1)-c1cnccc1C#N
Show InChI InChI=1S/C29H26FN7O2/c1-36-12-14-37(15-13-36)25-16-19(21-18-32-10-8-20(21)17-31)6-7-23(25)35-29(38)24-9-11-33-28(34-24)27-22(30)4-3-5-26(27)39-2/h3-11,16,18H,12-15H2,1-2H3,(H,35,38)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466695
PNG
(US10800761, Example 14)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cccc(C#N)c1N1C[C@H]2C[C@@H]1CN2
Show InChI InChI=1S/C24H21FN6O2/c1-33-20-7-3-5-17(25)21(20)23-27-9-8-19(29-23)24(32)30-18-6-2-4-14(11-26)22(18)31-13-15-10-16(31)12-28-15/h2-9,15-16,28H,10,12-13H2,1H3,(H,30,32)/t15-,16-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466699
PNG
(US10800761, Example 18)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(Br)cc1N1C[C@@H]2C[C@H]1CN2
Show InChI InChI=1S/C23H20BrF2N5O2/c1-33-20-4-2-3-15(25)21(20)22-27-6-5-17(29-22)23(32)30-18-9-16(26)14(24)8-19(18)31-11-12-7-13(31)10-28-12/h2-6,8-9,12-13,28H,7,10-11H2,1H3,(H,30,32)/t12-,13-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466702
PNG
(US10800761, Example 21)
Show SMILES CNC(=O)c1ccc(cn1)-c1cc(N2C[C@@H]3C[C@H]2CN3)c(NC(=O)c2ccnc(n2)-c2c(F)cccc2OC)cc1F
Show InChI InChI=1S/C30H27F2N7O3/c1-33-29(40)22-7-6-16(13-36-22)19-11-25(39-15-17-10-18(39)14-35-17)24(12-21(19)32)38-30(41)23-8-9-34-28(37-23)27-20(31)4-3-5-26(27)42-2/h3-9,11-13,17-18,35H,10,14-15H2,1-2H3,(H,33,40)(H,38,41)/t17-,18-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466713
PNG
(US10800761, Example 32)
Show SMILES CCN1C[C@H]2C[C@@H]1CN2c1ccc(F)cc1NC(=O)c1ccnc(n1)-c1c(F)cccc1OC
Show InChI InChI=1S/C25H25F2N5O2/c1-3-31-13-17-12-16(31)14-32(17)21-8-7-15(26)11-20(21)30-25(33)19-9-10-28-24(29-19)23-18(27)5-4-6-22(23)34-2/h4-11,16-17H,3,12-14H2,1-2H3,(H,30,33)/t16-,17-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466716
PNG
(US10800761, Example 35)
Show SMILES COc1ccc(N2C[C@H]3C[C@@H]2CN3)c(NC(=O)c2ccnc(n2)-c2c(F)cccc2OC)c1
Show InChI InChI=1S/C24H24FN5O3/c1-32-16-6-7-20(30-13-14-10-15(30)12-27-14)19(11-16)29-24(31)18-8-9-26-23(28-18)22-17(25)4-3-5-21(22)33-2/h3-9,11,14-15,27H,10,12-13H2,1-2H3,(H,29,31)/t14-,15-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466729
PNG
(US10800761, Example 48)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)C(C)C
Show InChI InChI=1S/C26H30FN5O3/c1-15(2)16-7-8-20(22(11-16)32-13-17(28)12-18(32)14-33)31-26(34)21-9-10-29-25(30-21)24-19(27)5-4-6-23(24)35-3/h4-11,15,17-18,33H,12-14,28H2,1-3H3,(H,31,34)/t17-,18-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466740
PNG
(US10800761, Example 59)
Show SMILES COc1cccc(F)c1-c1cccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C30H27FN6O3/c1-40-28-7-2-4-23(31)29(28)25-5-3-6-26(35-25)30(39)36-24-9-8-18(22-15-34-11-10-19(22)14-32)12-27(24)37-16-20(33)13-21(37)17-38/h2-12,15,20-21,38H,13,16-17,33H2,1H3,(H,36,39)/t20-,21-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466746
PNG
(US10800761, Example 65)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(nc1N1C[C@@H](N)C[C@H]1CO)-c1c(C)nn(C)c1C
Show InChI InChI=1S/C28H31FN8O3/c1-15-24(16(2)36(3)35-15)20-8-9-21(27(33-20)37-13-17(30)12-18(37)14-38)34-28(39)22-10-11-31-26(32-22)25-19(29)6-5-7-23(25)40-4/h5-11,17-18,38H,12-14,30H2,1-4H3,(H,34,39)/t17-,18-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466763
PNG
(US10800761, Example 82)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1[C@H]1CC[C@H](N)CC1)-c1cnccc1C#N
Show InChI InChI=1S/C30H27FN6O2/c1-39-27-4-2-3-24(31)28(27)29-35-14-12-26(36-29)30(38)37-25-10-7-19(23-17-34-13-11-20(23)16-32)15-22(25)18-5-8-21(33)9-6-18/h2-4,7,10-15,17-18,21H,5-6,8-9,33H2,1H3,(H,37,38)/t18-,21-
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466772
PNG
(US10800761, Example 91)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(Cl)cc1N1C[C@@H](N)C[C@H]1CO
Show InChI InChI=1S/C23H23ClFN5O3/c1-33-20-4-2-3-16(25)21(20)22-27-8-7-18(28-22)23(32)29-17-6-5-13(24)9-19(17)30-11-14(26)10-15(30)12-31/h2-9,14-15,31H,10-12,26H2,1H3,(H,29,32)/t14-,15-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466773
PNG
(US10800761, Example 92)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(F)cc1N1C[C@@H](N)C[C@H]1CO
Show InChI InChI=1S/C23H23F2N5O3/c1-33-20-4-2-3-16(25)21(20)22-27-8-7-18(28-22)23(32)29-17-6-5-13(24)9-19(17)30-11-14(26)10-15(30)12-31/h2-9,14-15,31H,10-12,26H2,1H3,(H,29,32)/t14-,15-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466723
PNG
(US10800761, Example 42 | US10800761, Example 55 | ...)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-14-33-9-7-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466779
PNG
(US10800761, Example 98)
Show SMILES CCOc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C30H28FN7O3/c1-2-41-27-5-3-4-23(31)28(27)29-35-11-9-25(36-29)30(40)37-24-7-6-18(22-15-34-10-8-19(22)14-32)12-26(24)38-16-20(33)13-21(38)17-39/h3-12,15,20-21,39H,2,13,16-17,33H2,1H3,(H,37,40)/t20-,21-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466785
PNG
(US10800761, Example 104)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1CCN[C@H](CO)C1
Show InChI InChI=1S/C23H23F2N5O3/c1-33-20-4-2-3-16(25)21(20)22-27-8-7-17(28-22)23(32)29-18-11-14(24)5-6-19(18)30-10-9-26-15(12-30)13-31/h2-8,11,15,26,31H,9-10,12-13H2,1H3,(H,29,32)/t15-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466786
PNG
(US10800761, Example 105)
Show SMILES COCC1CN(C1)c1cc(ccc1NC(=O)c1ccnc(n1)-c1c(F)cccc1OC)-c1cnccc1C#N
Show InChI InChI=1S/C29H25FN6O3/c1-38-17-18-15-36(16-18)25-12-19(21-14-32-10-8-20(21)13-31)6-7-23(25)35-29(37)24-9-11-33-28(34-24)27-22(30)4-3-5-26(27)39-2/h3-12,14,18H,15-17H2,1-2H3,(H,35,37)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466790
PNG
(US10800761, Example 109)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CCN(CCO)CC1)-c1cnccc1C#N
Show InChI InChI=1S/C30H28FN7O3/c1-41-27-4-2-3-23(31)28(27)29-34-10-8-25(35-29)30(40)36-24-6-5-20(22-19-33-9-7-21(22)18-32)17-26(24)38-13-11-37(12-14-38)15-16-39/h2-10,17,19,39H,11-16H2,1H3,(H,36,40)
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466709
PNG
(US10800761, Example 28)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(cc1N1C[C@@H]2C[C@H]1CN2)N1CCOCC1
Show InChI InChI=1S/C27H28F2N6O3/c1-37-24-4-2-3-18(28)25(24)26-30-6-5-20(32-26)27(36)33-21-12-19(29)22(34-7-9-38-10-8-34)13-23(21)35-15-16-11-17(35)14-31-16/h2-6,12-13,16-17,31H,7-11,14-15H2,1H3,(H,33,36)/t16-,17-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466710
PNG
(US10800761, Example 29)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(cc1N1C[C@@H]2C[C@H]1CN2)N1CCC1
Show InChI InChI=1S/C26H26F2N6O2/c1-36-23-5-2-4-17(27)24(23)25-29-7-6-19(31-25)26(35)32-20-11-18(28)21(33-8-3-9-33)12-22(20)34-14-15-10-16(34)13-30-15/h2,4-7,11-12,15-16,30H,3,8-10,13-14H2,1H3,(H,32,35)/t15-,16-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466712
PNG
(US10800761, Example 31)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(CNC2CCC2)cc1N1C[C@@H]2C[C@H]1CN2
Show InChI InChI=1S/C28H30F2N6O2/c1-38-25-7-3-6-20(29)26(25)27-31-9-8-22(34-27)28(37)35-23-12-21(30)16(13-32-17-4-2-5-17)10-24(23)36-15-18-11-19(36)14-33-18/h3,6-10,12,17-19,32-33H,2,4-5,11,13-15H2,1H3,(H,35,37)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466719
PNG
(US10800761, Example 38)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H]2C[C@H]1CN2)N1CCC1
Show InChI InChI=1S/C26H27FN6O2/c1-35-23-5-2-4-19(27)24(23)25-28-9-8-21(30-25)26(34)31-20-7-6-17(32-10-3-11-32)13-22(20)33-15-16-12-18(33)14-29-16/h2,4-9,13,16,18,29H,3,10-12,14-15H2,1H3,(H,31,34)/t16-,18-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466721
PNG
(US10800761, Example 40)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(c(F)c1N1C[C@@H]2C[C@H]1CN2)-c1ccncc1C#N
Show InChI InChI=1S/C29H23F2N7O2/c1-40-24-4-2-3-21(30)25(24)28-34-10-8-23(36-28)29(39)37-22-6-5-20(19-7-9-33-13-16(19)12-32)26(31)27(22)38-15-17-11-18(38)14-35-17/h2-10,13,17-18,35H,11,14-15H2,1H3,(H,37,39)/t17-,18-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466722
PNG
(US10800761, Example 41)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1ccncc1C#N
Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-7-9-33-14-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466723
PNG
(US10800761, Example 42 | US10800761, Example 55 | ...)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-14-33-9-7-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466737
PNG
(US10800761, Example 56)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1[C@@H]2CN[C@@H](C2)[C@@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C30H26FN7O3/c1-41-27-4-2-3-21(31)28(27)29-34-10-8-23(36-29)30(40)37-22-6-5-17(20-15-33-9-7-18(20)13-32)11-25(22)38-19-12-24(35-14-19)26(38)16-39/h2-11,15,19,24,26,35,39H,12,14,16H2,1H3,(H,37,40)/t19-,24-,26-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466747
PNG
(US10800761, Example 66)
Show SMILES N[C@H]1C[C@@H](CO)N(C1)c1ccc(F)cc1NC(=O)c1ccnc(n1)-c1c(F)cccc1F
Show InChI InChI=1S/C22H20F3N5O2/c23-12-4-5-19(30-10-13(26)9-14(30)11-31)18(8-12)29-22(32)17-6-7-27-21(28-17)20-15(24)2-1-3-16(20)25/h1-8,13-14,31H,9-11,26H2,(H,29,32)/t13-,14-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466748
PNG
(US10800761, Example 67)
Show SMILES COc1ccc(C#N)c(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@@H](N)C[C@H]1CO
Show InChI InChI=1S/C24H22F2N6O3/c1-35-20-5-2-13(10-27)22(26)21(20)23-29-7-6-17(30-23)24(34)31-18-8-14(25)3-4-19(18)32-11-15(28)9-16(32)12-33/h2-8,15-16,33H,9,11-12,28H2,1H3,(H,31,34)/t15-,16-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466755
PNG
(US10800761, Example 74)
Show SMILES COc1ccc(C#N)c(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C30H25FN8O3/c1-42-26-5-3-19(13-33)28(31)27(26)29-36-9-7-24(37-29)30(41)38-23-4-2-17(22-14-35-8-6-18(22)12-32)10-25(23)39-15-20(34)11-21(39)16-40/h2-10,14,20-21,40H,11,15-16,34H2,1H3,(H,38,41)/t20-,21-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466754
PNG
(US10800761, Example 73 | US10800761, Example 75)
Show SMILES COc1c(F)ccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H25F2N7O3/c1-41-27-22(31)4-3-21(30)26(27)28-35-9-7-24(36-28)29(40)37-23-5-2-16(20-13-34-8-6-17(20)12-32)10-25(23)38-14-18(33)11-19(38)15-39/h2-10,13,18-19,39H,11,14-15,33H2,1H3,(H,37,40)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466753
PNG
(US10800761, Example 72 | US10800761, Example 76)
Show SMILES COc1ccc(F)c(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H25F2N7O3/c1-41-25-5-3-21(30)27(31)26(25)28-35-9-7-23(36-28)29(40)37-22-4-2-16(20-13-34-8-6-17(20)12-32)10-24(22)38-14-18(33)11-19(38)15-39/h2-10,13,18-19,39H,11,14-15,33H2,1H3,(H,37,40)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466762
PNG
(US10800761, Example 81)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccccc1C1CCC(N)C1
Show InChI InChI=1S/C23H23FN4O2/c1-30-20-8-4-6-17(24)21(20)22-26-12-11-19(27-22)23(29)28-18-7-3-2-5-16(18)14-9-10-15(25)13-14/h2-8,11-12,14-15H,9-10,13,25H2,1H3,(H,28,29)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466783
PNG
(US10800761, Example 102)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CCO[C@H](CC#N)C1)-c1cnccc1C#N
Show InChI InChI=1S/C30H24FN7O3/c1-40-27-4-2-3-23(31)28(27)29-35-12-9-25(36-29)30(39)37-24-6-5-19(22-17-34-11-8-20(22)16-33)15-26(24)38-13-14-41-21(18-38)7-10-32/h2-6,8-9,11-12,15,17,21H,7,13-14,18H2,1H3,(H,37,39)/t21-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466683
PNG
(US10800761, Example 2)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1CC[C@H](N)C1
Show InChI InChI=1S/C22H21F2N5O2/c1-31-19-4-2-3-15(24)20(19)21-26-9-7-16(27-21)22(30)28-17-11-13(23)5-6-18(17)29-10-8-14(25)12-29/h2-7,9,11,14H,8,10,12,25H2,1H3,(H,28,30)/t14-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466688
PNG
(US10800761, Example 7)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@@H](O)C[C@@H]1C
Show InChI InChI=1S/C23H22F2N4O3/c1-13-10-15(30)12-29(13)19-7-6-14(24)11-18(19)28-23(31)17-8-9-26-22(27-17)21-16(25)4-3-5-20(21)32-2/h3-9,11,13,15,30H,10,12H2,1-2H3,(H,28,31)/t13-,15-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466705
PNG
(US10800761, Example 24)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H]2C[C@H]1CN2)-c1cccnc1C
Show InChI InChI=1S/C29H27FN6O2/c1-17-21(5-4-11-31-17)18-8-9-23(25(13-18)36-16-19-14-20(36)15-33-19)35-29(37)24-10-12-32-28(34-24)27-22(30)6-3-7-26(27)38-2/h3-13,19-20,33H,14-16H2,1-2H3,(H,35,37)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466745
PNG
(US10800761, Example 64)
Show SMILES N[C@H]1C[C@@H](CO)N(C1)c1cc(ccc1NC(=O)c1ccnc(n1)-c1c(F)cccc1Cl)-c1cnccc1C#N
Show InChI InChI=1S/C28H23ClFN7O2/c29-21-2-1-3-22(30)26(21)27-34-9-7-24(35-27)28(39)36-23-5-4-16(20-13-33-8-6-17(20)12-31)10-25(23)37-14-18(32)11-19(37)15-38/h1-10,13,18-19,38H,11,14-15,32H2,(H,36,39)/t18-,19-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466750
PNG
(US10800761, Example 69)
Show SMILES COc1ccc(C)c(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@@H](N)C[C@H]1CO
Show InChI InChI=1S/C24H25F2N5O3/c1-13-3-6-20(34-2)21(22(13)26)23-28-8-7-17(29-23)24(33)30-18-9-14(25)4-5-19(18)31-11-15(27)10-16(31)12-32/h3-9,15-16,32H,10-12,27H2,1-2H3,(H,30,33)/t15-,16-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466751
PNG
(US10800761, Example 70)
Show SMILES COc1cc(C)cc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C30H28FN7O3/c1-17-9-23(31)28(27(10-17)41-2)29-35-8-6-25(36-29)30(40)37-24-4-3-18(22-14-34-7-5-19(22)13-32)11-26(24)38-15-20(33)12-21(38)16-39/h3-11,14,20-21,39H,12,15-16,33H2,1-2H3,(H,37,40)/t20-,21-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466753
PNG
(US10800761, Example 72 | US10800761, Example 76)
Show SMILES COc1ccc(F)c(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H25F2N7O3/c1-41-25-5-3-21(30)27(31)26(25)28-35-9-7-23(36-28)29(40)37-22-4-2-16(20-13-34-8-6-17(20)12-32)10-24(22)38-14-18(33)11-19(38)15-39/h2-10,13,18-19,39H,11,14-15,33H2,1H3,(H,37,40)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466769
PNG
(US10800761, Example 88)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@H](C[C@H]1CO)N(C)C
Show InChI InChI=1S/C25H27F2N5O3/c1-31(2)16-12-17(14-33)32(13-16)21-8-7-15(26)11-20(21)30-25(34)19-9-10-28-24(29-19)23-18(27)5-4-6-22(23)35-3/h4-11,16-17,33H,12-14H2,1-3H3,(H,30,34)/t16-,17-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466770
PNG
(US10800761, Example 89)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@H](C[C@H]1CO)NC(C)C
Show InChI InChI=1S/C26H29F2N5O3/c1-15(2)30-17-12-18(14-34)33(13-17)22-8-7-16(27)11-21(22)32-26(35)20-9-10-29-25(31-20)24-19(28)5-4-6-23(24)36-3/h4-11,15,17-18,30,34H,12-14H2,1-3H3,(H,32,35)/t17-,18-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466771
PNG
(US10800761, Example 90)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)C1CCOCC1
Show InChI InChI=1S/C28H32FN5O4/c1-37-25-4-2-3-21(29)26(25)27-31-10-7-23(32-27)28(36)33-22-6-5-18(17-8-11-38-12-9-17)13-24(22)34-15-19(30)14-20(34)16-35/h2-7,10,13,17,19-20,35H,8-9,11-12,14-16,30H2,1H3,(H,33,36)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466778
PNG
(US10800761, Example 97)
Show SMILES N[C@H]1C[C@@H](CO)N(C1)c1cc(ccc1NC(=O)c1ccnc(n1)-c1c(F)cccc1C1CC1)-c1cnccc1C#N
Show InChI InChI=1S/C31H28FN7O2/c32-25-3-1-2-23(18-4-5-18)29(25)30-36-11-9-27(37-30)31(41)38-26-7-6-19(24-15-35-10-8-20(24)14-33)12-28(26)39-16-21(34)13-22(39)17-40/h1-3,6-12,15,18,21-22,40H,4-5,13,16-17,34H2,(H,38,41)/t21-,22-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466782
PNG
(US10800761, Example 101)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CCO[C@@H](CN(C)C)C1)-c1cnccc1C#N
Show InChI InChI=1S/C31H30FN7O3/c1-38(2)18-22-19-39(13-14-42-22)27-15-20(23-17-34-11-9-21(23)16-33)7-8-25(27)37-31(40)26-10-12-35-30(36-26)29-24(32)5-4-6-28(29)41-3/h4-12,15,17,22H,13-14,18-19H2,1-3H3,(H,37,40)/t22-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466787
PNG
(US10800761, Example 106)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CC[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C28H23FN6O3/c1-38-25-4-2-3-21(29)26(25)27-32-11-8-23(33-27)28(37)34-22-6-5-17(20-15-31-10-7-18(20)14-30)13-24(22)35-12-9-19(35)16-36/h2-8,10-11,13,15,19,36H,9,12,16H2,1H3,(H,34,37)/t19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466788
PNG
(US10800761, Example 107)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CC[C@@H]1CN(C)C)-c1cnccc1C#N
Show InChI InChI=1S/C30H28FN7O2/c1-37(2)18-21-11-14-38(21)26-15-19(22-17-33-12-9-20(22)16-32)7-8-24(26)36-30(39)25-10-13-34-29(35-25)28-23(31)5-4-6-27(28)40-3/h4-10,12-13,15,17,21H,11,14,18H2,1-3H3,(H,36,39)/t21-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466791
PNG
(US10800761, Example 110)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(cc1N1CCN[C@H](CO)C1)C(C)C
Show InChI InChI=1S/C26H29F2N5O3/c1-15(2)17-11-22(33-10-9-29-16(13-33)14-34)21(12-19(17)28)32-26(35)20-7-8-30-25(31-20)24-18(27)5-4-6-23(24)36-3/h4-8,11-12,15-16,29,34H,9-10,13-14H2,1-3H3,(H,32,35)/t16-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466682
PNG
(US10800761, Example 1)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@H]2C[C@@H]1CN2
Show InChI InChI=1S/C23H21F2N5O2/c1-32-20-4-2-3-16(25)21(20)22-26-8-7-17(28-22)23(31)29-18-9-13(24)5-6-19(18)30-12-14-10-15(30)11-27-14/h2-9,14-15,27H,10-12H2,1H3,(H,29,31)/t14-,15-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466693
PNG
(US10800761, Example 12)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1CCOCC1CO
Show InChI InChI=1S/C23H22F2N4O4/c1-32-20-4-2-3-16(25)21(20)22-26-8-7-17(27-22)23(31)28-18-11-14(24)5-6-19(18)29-9-10-33-13-15(29)12-30/h2-8,11,15,30H,9-10,12-13H2,1H3,(H,28,31)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466698
PNG
(US10800761, Example 17)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(CO)cc1N1C[C@@H]2C[C@H]1CN2
Show InChI InChI=1S/C24H23F2N5O3/c1-34-21-4-2-3-16(25)22(21)23-27-6-5-18(29-23)24(33)30-19-9-17(26)13(12-32)7-20(19)31-11-14-8-15(31)10-28-14/h2-7,9,14-15,28,32H,8,10-12H2,1H3,(H,30,33)/t14-,15-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466700
PNG
(US10800761, Example 19)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(cc1N1C[C@@H]2C[C@H]1CN2)-c1cnn(C)c1
Show InChI InChI=1S/C27H25F2N7O2/c1-35-13-15(11-32-35)18-9-23(36-14-16-8-17(36)12-31-16)22(10-20(18)29)34-27(37)21-6-7-30-26(33-21)25-19(28)4-3-5-24(25)38-2/h3-7,9-11,13,16-17,31H,8,12,14H2,1-2H3,(H,34,37)/t16-,17-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466711
PNG
(US10800761, Example 30)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(CN2CCOCC2)cc1N1C[C@@H]2C[C@H]1CN2
Show InChI InChI=1S/C28H30F2N6O3/c1-38-25-4-2-3-20(29)26(25)27-31-6-5-22(33-27)28(37)34-23-13-21(30)17(15-35-7-9-39-10-8-35)11-24(23)36-16-18-12-19(36)14-32-18/h2-6,11,13,18-19,32H,7-10,12,14-16H2,1H3,(H,34,37)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466731
PNG
(US10800761, Example 50)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](C)NC[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C30H28FN7O3/c1-18-16-38(21(17-39)14-35-18)26-12-19(22-15-33-10-8-20(22)13-32)6-7-24(26)37-30(40)25-9-11-34-29(36-25)28-23(31)4-3-5-27(28)41-2/h3-12,15,18,21,35,39H,14,16-17H2,1-2H3,(H,37,40)/t18-,21+/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466733
PNG
(US10800761, Example 52)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CC2(CC2)NC[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C31H28FN7O3/c1-42-27-4-2-3-23(32)28(27)29-35-12-8-25(37-29)30(41)38-24-6-5-19(22-16-34-11-7-20(22)14-33)13-26(24)39-18-31(9-10-31)36-15-21(39)17-40/h2-8,11-13,16,21,36,40H,9-10,15,17-18H2,1H3,(H,38,41)/t21-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466735
PNG
(US10800761, Example 54)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1C(C)(C)O)-c1cnccc1C#N
Show InChI InChI=1S/C31H30FN7O3/c1-31(2,41)27-14-20(34)17-39(27)25-13-18(21-16-35-11-9-19(21)15-33)7-8-23(25)38-30(40)24-10-12-36-29(37-24)28-22(32)5-4-6-26(28)42-3/h4-13,16,20,27,41H,14,17,34H2,1-3H3,(H,38,40)/t20-,27-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466723
PNG
(US10800761, Example 42 | US10800761, Example 55 | ...)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-14-33-9-7-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466738
PNG
(US10800761, Example 57)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H]2C[C@@]1(CO)CN2)-c1cnccc1C#N
Show InChI InChI=1S/C30H26FN7O3/c1-41-26-4-2-3-22(31)27(26)28-34-10-8-24(36-28)29(40)37-23-6-5-18(21-14-33-9-7-19(21)13-32)11-25(23)38-15-20-12-30(38,17-39)16-35-20/h2-11,14,20,35,39H,12,15-17H2,1H3,(H,37,40)/t20-,30-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466741
PNG
(US10800761, Example 60)
Show SMILES COc1cccc(F)c1-c1nc(ccc1C#N)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C31H26FN7O3/c1-42-28-4-2-3-24(32)29(28)30-20(14-34)6-8-26(37-30)31(41)38-25-7-5-18(23-15-36-10-9-19(23)13-33)11-27(25)39-16-21(35)12-22(39)17-40/h2-11,15,21-22,40H,12,16-17,35H2,1H3,(H,38,41)/t21-,22-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466744
PNG
(US10800761, Example 63)
Show SMILES Cc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H26FN7O2/c1-17-3-2-4-23(30)27(17)28-34-10-8-25(35-28)29(39)36-24-6-5-18(22-14-33-9-7-19(22)13-31)11-26(24)37-15-20(32)12-21(37)16-38/h2-11,14,20-21,38H,12,15-16,32H2,1H3,(H,36,39)/t20-,21-/m0/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466761
PNG
(US10800761, Example 80)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccccc1C1CCCC(N)C1
Show InChI InChI=1S/C24H25FN4O2/c1-31-21-11-5-9-18(25)22(21)23-27-13-12-20(28-23)24(30)29-19-10-3-2-8-17(19)15-6-4-7-16(26)14-15/h2-3,5,8-13,15-16H,4,6-7,14,26H2,1H3,(H,29,30)
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466767
PNG
(US10800761, Example 86)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccccc1N1C[C@@H](N)C[C@H]1CO
Show InChI InChI=1S/C23H24FN5O3/c1-32-20-8-4-5-16(24)21(20)22-26-10-9-18(27-22)23(31)28-17-6-2-3-7-19(17)29-12-14(25)11-15(29)13-30/h2-10,14-15,30H,11-13,25H2,1H3,(H,28,31)/t14-,15-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466684
PNG
(US10800761, Example 3)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1CCC[C@@H]1CN
Show InChI InChI=1S/C23H23F2N5O2/c1-32-20-6-2-5-16(25)21(20)22-27-10-9-17(28-22)23(31)29-18-12-14(24)7-8-19(18)30-11-3-4-15(30)13-26/h2,5-10,12,15H,3-4,11,13,26H2,1H3,(H,29,31)/t15-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466691
PNG
(US10800761, Example 10)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1CCNC[C@H]1C
Show InChI InChI=1S/C23H23F2N5O2/c1-14-13-26-10-11-30(14)19-7-6-15(24)12-18(19)29-23(31)17-8-9-27-22(28-17)21-16(25)4-3-5-20(21)32-2/h3-9,12,14,26H,10-11,13H2,1-2H3,(H,29,31)/t14-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466692
PNG
(US10800761, Example 11)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1CCNC[C@@H]1CO
Show InChI InChI=1S/C23H23F2N5O3/c1-33-20-4-2-3-16(25)21(20)22-27-8-7-17(28-22)23(32)29-18-11-14(24)5-6-19(18)30-10-9-26-12-15(30)13-31/h2-8,11,15,26,31H,9-10,12-13H2,1H3,(H,29,32)/t15-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466696
PNG
(US10800761, Example 15)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)cc(-c2cccnc2)c1N1C[C@H]2C[C@@H]1CN2
Show InChI InChI=1S/C28H24F2N6O2/c1-38-24-6-2-5-21(30)25(24)27-32-9-7-22(34-27)28(37)35-23-11-17(29)10-20(16-4-3-8-31-13-16)26(23)36-15-18-12-19(36)14-33-18/h2-11,13,18-19,33H,12,14-15H2,1H3,(H,35,37)/t18-,19-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466697
PNG
(US10800761, Example 16)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)cc(-c2cnn(C)c2)c1N1C[C@H]2C[C@@H]1CN2
Show InChI InChI=1S/C27H25F2N7O2/c1-35-13-15(11-32-35)19-8-16(28)9-22(25(19)36-14-17-10-18(36)12-31-17)34-27(37)21-6-7-30-26(33-21)24-20(29)4-3-5-23(24)38-2/h3-9,11,13,17-18,31H,10,12,14H2,1-2H3,(H,34,37)/t17-,18-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466714
PNG
(US10800761, Example 33)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@H]2C[C@@H]1CN2CCO
Show InChI InChI=1S/C25H25F2N5O3/c1-35-22-4-2-3-18(27)23(22)24-28-8-7-19(29-24)25(34)30-20-11-15(26)5-6-21(20)32-14-16-12-17(32)13-31(16)9-10-33/h2-8,11,16-17,33H,9-10,12-14H2,1H3,(H,30,34)/t16-,17-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466726
PNG
(US10800761, Example 45)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1c(F)cccc1C#N
Show InChI InChI=1S/C30H26F2N6O3/c1-41-26-7-3-6-22(32)28(26)29-35-11-10-24(36-29)30(40)37-23-9-8-17(27-18(14-33)4-2-5-21(27)31)12-25(23)38-15-19(34)13-20(38)16-39/h2-12,19-20,39H,13,15-16,34H2,1H3,(H,37,40)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466730
PNG
(US10800761, Example 49)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](O)C[C@H]1CO)-c1ccncc1C#N
Show InChI InChI=1S/C29H25FN6O4/c1-40-26-4-2-3-22(30)27(26)28-33-10-8-24(34-28)29(39)35-23-6-5-17(21-7-9-32-14-18(21)13-31)11-25(23)36-15-20(38)12-19(36)16-37/h2-11,14,19-20,37-38H,12,15-16H2,1H3,(H,35,39)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466739
PNG
(US10800761, Example 58)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1CC[C@H](N)C[C@@H]1C)-c1cnccc1C#N
Show InChI InChI=1S/C30H28FN7O2/c1-18-14-21(33)10-13-38(18)26-15-19(22-17-34-11-8-20(22)16-32)6-7-24(26)37-30(39)25-9-12-35-29(36-25)28-23(31)4-3-5-27(28)40-2/h3-9,11-12,15,17-18,21H,10,13-14,33H2,1-2H3,(H,37,39)/t18-,21-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466760
PNG
(US10800761, Example 79)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccccc1[C@@H]1CC[C@H](N)CC1
Show InChI InChI=1S/C24H25FN4O2/c1-31-21-8-4-6-18(25)22(21)23-27-14-13-20(28-23)24(30)29-19-7-3-2-5-17(19)15-9-11-16(26)12-10-15/h2-8,13-16H,9-12,26H2,1H3,(H,29,30)/t15-,16+
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466774
PNG
(US10800761, Example 93)
Show SMILES N[C@H]1C[C@@H](CO)N(C1)c1cc(ccc1NC(=O)c1ccnc(n1)-c1c(F)cccc1F)-c1cc(ncc1C#N)N1CCCC1
Show InChI InChI=1S/C32H30F2N8O2/c33-24-4-3-5-25(34)30(24)31-37-9-8-27(39-31)32(44)40-26-7-6-19(12-28(26)42-17-21(36)13-22(42)18-43)23-14-29(38-16-20(23)15-35)41-10-1-2-11-41/h3-9,12,14,16,21-22,43H,1-2,10-11,13,17-18,36H2,(H,40,44)/t21-,22-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466685
PNG
(US10800761, Example 4)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1CCC[C@@H]1CO
Show InChI InChI=1S/C23H22F2N4O3/c1-32-20-6-2-5-16(25)21(20)22-26-10-9-17(27-22)23(31)28-18-12-14(24)7-8-19(18)29-11-3-4-15(29)13-30/h2,5-10,12,15,30H,3-4,11,13H2,1H3,(H,28,31)/t15-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466703
PNG
(US10800761, Example 22)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c(cc1N1C[C@@H]2C[C@H]1CN2)-c1ccc(=O)n(C)c1
Show InChI InChI=1S/C29H26F2N6O3/c1-36-14-16(6-7-26(36)38)19-11-24(37-15-17-10-18(37)13-33-17)23(12-21(19)31)35-29(39)22-8-9-32-28(34-22)27-20(30)4-3-5-25(27)40-2/h3-9,11-12,14,17-18,33H,10,13,15H2,1-2H3,(H,35,39)/t17-,18-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466707
PNG
(US10800761, Example 26)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H]2C[C@H]1CN2)-c1cnccc1C#N
Show InChI InChI=1S/C29H24FN7O2/c1-39-26-4-2-3-22(30)27(26)28-33-10-8-24(35-28)29(38)36-23-6-5-17(21-15-32-9-7-18(21)13-31)11-25(23)37-16-19-12-20(37)14-34-19/h2-11,15,19-20,34H,12,14,16H2,1H3,(H,36,38)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466717
PNG
(US10800761, Example 36)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(CO)ccc1N1C[C@H]2C[C@@H]1CN2
Show InChI InChI=1S/C24H24FN5O3/c1-33-21-4-2-3-17(25)22(21)23-26-8-7-18(28-23)24(32)29-19-9-14(13-31)5-6-20(19)30-12-15-10-16(30)11-27-15/h2-9,15-16,27,31H,10-13H2,1H3,(H,29,32)/t15-,16-/m1/s1
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A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466720
PNG
(US10800761, Example 39)
Show SMILES COC[C@@H]1CCN1c1ccc(NC(=O)c2ccnc(n2)-c2c(F)cccc2OC)c(c1)N1C[C@@H]2C[C@H]1CN2
Show InChI InChI=1S/C28H31FN6O3/c1-37-16-19-9-11-34(19)18-6-7-22(24(13-18)35-15-17-12-20(35)14-31-17)33-28(36)23-8-10-30-27(32-23)26-21(29)4-3-5-25(26)38-2/h3-8,10,13,17,19-20,31H,9,11-12,14-16H2,1-2H3,(H,33,36)/t17-,19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466728
PNG
(US10800761, Example 47)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1c(cnn1C)C#N
Show InChI InChI=1S/C28H27FN8O3/c1-36-26(17(12-30)13-33-36)16-6-7-21(23(10-16)37-14-18(31)11-19(37)15-38)35-28(39)22-8-9-32-27(34-22)25-20(29)4-3-5-24(25)40-2/h3-10,13,18-19,38H,11,14-15,31H2,1-2H3,(H,35,39)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466743
PNG
(US10800761, Example 62)
Show SMILES N[C@H]1C[C@@H](CO)N(C1)c1cc(ccc1NC(=O)c1ccnc(n1)-c1c(F)cccc1F)-c1cnccc1C#N
Show InChI InChI=1S/C28H23F2N7O2/c29-21-2-1-3-22(30)26(21)27-34-9-7-24(35-27)28(39)36-23-5-4-16(20-13-33-8-6-17(20)12-31)10-25(23)37-14-18(32)11-19(37)15-38/h1-10,13,18-19,38H,11,14-15,32H2,(H,36,39)/t18-,19-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466752
PNG
(US10800761, Example 71)
Show SMILES Cc1c(F)ccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C29H25F2N7O2/c1-16-22(30)3-4-23(31)27(16)28-35-9-7-25(36-28)29(40)37-24-5-2-17(21-13-34-8-6-18(21)12-32)10-26(24)38-14-19(33)11-20(38)15-39/h2-10,13,19-20,39H,11,14-15,33H2,1H3,(H,37,40)/t19-,20-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466764
PNG
(US10800761, Example 83)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1[C@@H]1CC[C@H](N)CC1)-c1c(cnn1C)C#N
Show InChI InChI=1S/C29H28FN7O2/c1-37-27(19(15-31)16-34-37)18-8-11-23(21(14-18)17-6-9-20(32)10-7-17)36-29(38)24-12-13-33-28(35-24)26-22(30)4-3-5-25(26)39-2/h3-5,8,11-14,16-17,20H,6-7,9-10,32H2,1-2H3,(H,36,38)/t17-,20+
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466718
PNG
(US10800761, Example 37)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(ccc1N1C[C@H]2C[C@@H]1CN2)C#N
Show InChI InChI=1S/C24H21FN6O2/c1-33-21-4-2-3-17(25)22(21)23-27-8-7-18(29-23)24(32)30-19-9-14(11-26)5-6-20(19)31-13-15-10-16(31)12-28-15/h2-9,15-16,28H,10,12-13H2,1H3,(H,30,32)/t15-,16-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466686
PNG
(US10800761, Example 5)
Show SMILES COC[C@H]1CCCN1c1ccc(F)cc1NC(=O)c1ccnc(n1)-c1c(F)cccc1OC
Show InChI InChI=1S/C24H24F2N4O3/c1-32-14-16-5-4-12-30(16)20-9-8-15(25)13-19(20)29-24(31)18-10-11-27-23(28-18)22-17(26)6-3-7-21(22)33-2/h3,6-11,13,16H,4-5,12,14H2,1-2H3,(H,29,31)/t16-/m1/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466759
PNG
(US10800761, Example 78)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccccc1C1CCNCC1
Show InChI InChI=1S/C23H23FN4O2/c1-30-20-8-4-6-17(24)21(20)22-26-14-11-19(27-22)23(29)28-18-7-3-2-5-16(18)15-9-12-25-13-10-15/h2-8,11,14-15,25H,9-10,12-13H2,1H3,(H,28,29)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466742
PNG
(US10800761, Example 61)
Show SMILES COc1ccc(nc1-c1c(F)cccc1OC)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N
Show InChI InChI=1S/C31H29FN6O4/c1-41-27-5-3-4-23(32)29(27)30-28(42-2)9-8-25(36-30)31(40)37-24-7-6-18(22-15-35-11-10-19(22)14-33)12-26(24)38-16-20(34)13-21(38)17-39/h3-12,15,20-21,39H,13,16-17,34H2,1-2H3,(H,37,40)/t20-,21-/m0/s1
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466690
PNG
(US10800761, Example 9)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1CCC2CNCC12
Show InChI InChI=1S/C24H23F2N5O2/c1-33-21-4-2-3-16(26)22(21)23-28-9-7-17(29-23)24(32)30-18-11-15(25)5-6-19(18)31-10-8-14-12-27-13-20(14)31/h2-7,9,11,14,20,27H,8,10,12-13H2,1H3,(H,30,32)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 1


(Homo sapiens (Human))
BDBM466689
PNG
(US10800761, Example 8)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1CCCC1c1ccccn1
Show InChI InChI=1S/C27H23F2N5O2/c1-36-24-9-4-6-18(29)25(24)26-31-14-12-20(32-26)27(35)33-21-16-17(28)10-11-23(21)34-15-5-8-22(34)19-7-2-3-13-30-19/h2-4,6-7,9-14,16,22H,5,8,15H2,1H3,(H,33,35)
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Assay Description
A stock solution of 1 mM test compound was prepared in DMSO. The compound plate was prepared by 3-fold and 11-point serial dilutions. 0.1 μL of ...


US Patent US10800761 (2020)

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