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Compile Data Set for Download or QSAR

Found 93 hits Enz. Inhib. hit(s) with all data for entry = 2435   
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
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365304
PNG
((2-Methoxy-4-methyl- phenyl)-{3-[6-(4-methyl- pyri...)
Show SMILES COc1cc(C)ccc1C(=O)N1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(n1)N1CCCC1C
Show InChI InChI=1S/C29H36N6O2/c1-19-9-10-23(25(15-19)37-4)28(36)34-13-6-8-22(18-34)24-17-27(32-26-16-20(2)11-12-30-26)33-29(31-24)35-14-5-7-21(35)3/h9-12,15-17,21-22H,5-8,13-14,18H2,1-4H3,(H,30,31,32,33)
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0.170n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365250
PNG
(US9868720, No. 169 | [6-(1-Methyl-piperidin- 4-yl)...)
Show SMILES C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C)CC1 |r|
Show InChI InChI=1S/C21H27F3N6/c1-14-4-3-9-30(14)20-26-17(15-6-10-29(2)11-7-15)13-19(28-20)27-18-12-16(5-8-25-18)21(22,23)24/h5,8,12-15H,3-4,6-7,9-11H2,1-2H3,(H,25,26,27,28)/t14-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365305
PNG
(US9868720, No. 426 | {3-[2-(3,3-Difluoro- pyrroli...)
Show SMILES COc1cc(C)ccc1C(=O)N1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C28H32F2N6O2/c1-18-6-7-21(23(13-18)38-3)26(37)35-11-4-5-20(16-35)22-15-25(33-24-14-19(2)8-10-31-24)34-27(32-22)36-12-9-28(29,30)17-36/h6-8,10,13-15,20H,4-5,9,11-12,16-17H2,1-3H3,(H,31,32,33,34)
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0.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365231
PNG
(US9868720, No. 65 | [2-(2-Methyl-pyrrolidin- 1-yl)...)
Show SMILES CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNCC1
Show InChI InChI=1S/C20H25F3N6/c1-13-3-2-10-29(13)19-26-16(14-4-7-24-8-5-14)12-18(28-19)27-17-11-15(6-9-25-17)20(21,22)23/h6,9,11-14,24H,2-5,7-8,10H2,1H3,(H,25,26,27,28)
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0.735n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365240
PNG
(US9868720, No. 111 | [2-((R)-2-Methyl-pyrrolidin- ...)
Show SMILES C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNCC1 |r|
Show InChI InChI=1S/C20H25F3N6/c1-13-3-2-10-29(13)19-26-16(14-4-7-24-8-5-14)12-18(28-19)27-17-11-15(6-9-25-17)20(21,22)23/h6,9,11-14,24H,2-5,7-8,10H2,1H3,(H,25,26,27,28)/t13-/m1/s1
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0.850n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365260
PNG
((4-Cyclopropyl-pyridin- 2-yl)-[2-((R)-2-methyl- py...)
Show SMILES C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C2CC2)cc(n1)C1CCNCC1 |r|
Show InChI InChI=1S/C22H30N6/c1-15-3-2-12-28(15)22-25-19(17-6-9-23-10-7-17)14-21(27-22)26-20-13-18(8-11-24-20)16-4-5-16/h8,11,13-17,23H,2-7,9-10,12H2,1H3,(H,24,25,26,27)/t15-/m1/s1
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0.950n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365261
PNG
(2-Imidazol-1-yl-1-{3-[2- (2-methyl-pyrrolidin-1- y...)
Show SMILES CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C1)C(=O)Cn1ccnc1
Show InChI InChI=1S/C24H27F3N8O/c1-16-3-2-8-35(16)23-30-19(17-5-9-34(13-17)22(36)14-33-10-7-28-15-33)12-21(32-23)31-20-11-18(4-6-29-20)24(25,26)27/h4,6-7,10-12,15-17H,2-3,5,8-9,13-14H2,1H3,(H,29,30,31,32)
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1.59n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365290
PNG
((1-Methyl-1H-imidazol- 4-yl)-{3-[2-(2-methyl- pyrr...)
Show SMILES CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C1)C(=O)c1cn(C)cn1
Show InChI InChI=1S/C24H27F3N8O/c1-15-4-3-8-35(15)23-30-18(16-6-9-34(12-16)22(36)19-13-33(2)14-29-19)11-21(32-23)31-20-10-17(5-7-28-20)24(25,26)27/h5,7,10-11,13-16H,3-4,6,8-9,12H2,1-2H3,(H,28,30,31,32)
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1.72n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365252
PNG
(1-{4-[2-((R)-2-Methyl- pyrrolidin-1-yl)-6-(4- trif...)
Show SMILES C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC1)C(C)=O |r|
Show InChI InChI=1S/C22H27F3N6O/c1-14-4-3-9-31(14)21-27-18(16-6-10-30(11-7-16)15(2)32)13-20(29-21)28-19-12-17(5-8-26-19)22(23,24)25/h5,8,12-14,16H,3-4,6-7,9-11H2,1-2H3,(H,26,27,28,29)/t14-/m1/s1
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2.20n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059205
PNG
(CHEMBL3393322 | US9868720, No. 92)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCNCC2)c1
Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-8-30(11-18)17-27-14(12-1-5-25-6-2-12)10-16(29-17)28-15-9-13(3-7-26-15)19(22,23)24/h3,7,9-10,12,25H,1-2,4-6,8,11H2,(H,26,27,28,29)
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US Patent
2.43n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365237
PNG
(US9868720, No. 96 | [2-(3,3-Difluoro-piperidin- 1-...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC(F)(F)C2)C2CCNC2)c1
Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-1-7-30(11-18)17-27-14(12-2-5-25-10-12)9-16(29-17)28-15-8-13(3-6-26-15)19(22,23)24/h3,6,8-9,12,25H,1-2,4-5,7,10-11H2,(H,26,27,28,29)
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3.10n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365259
PNG
(US9868720, No. 201 | [2-(3,3-Difluoro-pyrrolidin- ...)
Show SMILES FC1(F)CCN(C1)c1nc(Nc2cc(ccn2)-c2cccs2)cc(n1)C1CCNCC1
Show InChI InChI=1S/C22H24F2N6S/c23-22(24)6-10-30(14-22)21-27-17(15-3-7-25-8-4-15)13-20(29-21)28-19-12-16(5-9-26-19)18-2-1-11-31-18/h1-2,5,9,11-13,15,25H,3-4,6-8,10,14H2,(H,26,27,28,29)
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3.20n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365248
PNG
(US9868720, No. 160 | [2-(3,3-Difluoro-pyrrolidin- ...)
Show SMILES CN1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C20H23F5N6/c1-30-7-3-13(4-8-30)15-11-17(28-16-10-14(2-6-26-16)20(23,24)25)29-18(27-15)31-9-5-19(21,22)12-31/h2,6,10-11,13H,3-5,7-9,12H2,1H3,(H,26,27,28,29)
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4.42n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365232
PNG
((2-Pyrrolidin-1-yl-6-pyr- rolidin-3-yl-pyrimidin- ...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCNC2)c1
Show InChI InChI=1S/C18H21F3N6/c19-18(20,21)13-4-6-23-15(9-13)25-16-10-14(12-3-5-22-11-12)24-17(26-16)27-7-1-2-8-27/h4,6,9-10,12,22H,1-3,5,7-8,11H2,(H,23,24,25,26)
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4.80n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365298
PNG
(US9868720, No. 404 | {2-(3,3-Difluoro-pyrrolidin- ...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCN(Cc3cn[nH]c3)C2)c1
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4.92n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365302
PNG
(US9868720, No. 423 | {2-(1-Methyl-1H-pyrazol- 4-yl...)
Show SMILES Cn1cc(cn1)-c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC2CCOCC2)C1
Show InChI InChI=1S/C24H28F3N7O/c1-33-14-18(12-29-33)23-30-20(17-3-7-34(15-17)13-16-4-8-35-9-5-16)11-22(32-23)31-21-10-19(2-6-28-21)24(25,26)27/h2,6,10-12,14,16-17H,3-5,7-9,13,15H2,1H3,(H,28,30,31,32)
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5.21n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365281
PNG
(1-Methyl-4-[2-(2-methyl- pyrrolidin-1-yl)-6-(4- tr...)
Show SMILES CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C)C(=O)C1
Show InChI InChI=1S/C21H25F3N6O/c1-13-4-3-8-30(13)20-26-16(14-6-9-29(2)19(31)10-14)12-18(28-20)27-17-11-15(5-7-25-17)21(22,23)24/h5,7,11-14H,3-4,6,8-10H2,1-2H3,(H,25,26,27,28)
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6.12n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365261
PNG
(2-Imidazol-1-yl-1-{3-[2- (2-methyl-pyrrolidin-1- y...)
Show SMILES CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C1)C(=O)Cn1ccnc1
Show InChI InChI=1S/C24H27F3N8O/c1-16-3-2-8-35(16)23-30-19(17-5-9-34(13-17)22(36)14-33-10-7-28-15-33)12-21(32-23)31-20-11-18(4-6-29-20)24(25,26)27/h4,6-7,10-12,15-17H,2-3,5,8-9,13-14H2,1H3,(H,29,30,31,32)
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7.69n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365253
PNG
(3-{4-[2-(2-Methyl-pyrrolidin- 1-yl)-6-(4-trifluoro...)
Show SMILES CC1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC1)C(=O)CC#N
Show InChI InChI=1S/C23H26F3N7O/c1-15-3-2-10-33(15)22-29-18(16-6-11-32(12-7-16)21(34)4-8-27)14-20(31-22)30-19-13-17(5-9-28-19)23(24,25)26/h5,9,13-16H,2-4,6-7,10-12H2,1H3,(H,28,29,30,31)
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8.03n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365258
PNG
((4-tert-Butyl-pyridin-2- yl)-[2-(3,3-difluoro- pyr...)
Show SMILES CC(C)(C)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCNCC2)c1
Show InChI InChI=1S/C22H30F2N6/c1-21(2,3)16-6-10-26-18(12-16)28-19-13-17(15-4-8-25-9-5-15)27-20(29-19)30-11-7-22(23,24)14-30/h6,10,12-13,15,25H,4-5,7-9,11,14H2,1-3H3,(H,26,27,28,29)
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8.34n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365242
PNG
((4-Chloro-pyridin-2-yl)- [2-(3,3-difluoro-pyrrolid...)
Show SMILES FC1(F)CCN(C1)c1nc(Nc2cc(Cl)ccn2)cc(n1)C1CCNCC1
Show InChI InChI=1S/C18H21ClF2N6/c19-13-3-7-23-15(9-13)25-16-10-14(12-1-5-22-6-2-12)24-17(26-16)27-8-4-18(20,21)11-27/h3,7,9-10,12,22H,1-2,4-6,8,11H2,(H,23,24,25,26)
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8.55n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365292
PNG
(US9868720, No. 388 | {2-(2-Methyl-2H-pyrazol- 3-yl...)
Show SMILES Cn1nccc1-c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC2CCOCC2)C1
Show InChI InChI=1S/C24H28F3N7O/c1-33-20(3-8-29-33)23-30-19(17-4-9-34(15-17)14-16-5-10-35-11-6-16)13-22(32-23)31-21-12-18(2-7-28-21)24(25,26)27/h2-3,7-8,12-13,16-17H,4-6,9-11,14-15H2,1H3,(H,28,30,31,32)
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8.75n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365293
PNG
(US9868720, No. 391 | [2-Cyclopentyl-6-(1- oxetan-3...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)C2CCCC2)C2CCCN(C2)C2COC2)c1
Show InChI InChI=1S/C23H28F3N5O/c24-23(25,26)17-7-8-27-20(10-17)29-21-11-19(28-22(30-21)15-4-1-2-5-15)16-6-3-9-31(12-16)18-13-32-14-18/h7-8,10-11,15-16,18H,1-6,9,12-14H2,(H,27,28,29,30)
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9n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365245
PNG
(US9868720, No. 143 | [2-((2R,5R)-2,5-Dimethyl- pyr...)
Show SMILES C[C@@H]1CC[C@@H](C)N1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNCC1 |r|
Show InChI InChI=1S/C21H27F3N6/c1-13-3-4-14(2)30(13)20-27-17(15-5-8-25-9-6-15)12-19(29-20)28-18-11-16(7-10-26-18)21(22,23)24/h7,10-15,25H,3-6,8-9H2,1-2H3,(H,26,27,28,29)/t13-,14-/m1/s1
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10.4n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365289
PNG
(1-{3-[2-((R)-2-Methyl- pyrrolidin-1-yl)-6-(4- trif...)
Show SMILES C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CN(C1)C(C)=O |r|
Show InChI InChI=1S/C20H23F3N6O/c1-12-4-3-7-29(12)19-25-16(14-10-28(11-14)13(2)30)9-18(27-19)26-17-8-15(5-6-24-17)20(21,22)23/h5-6,8-9,12,14H,3-4,7,10-11H2,1-2H3,(H,24,25,26,27)/t12-/m1/s1
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11.1n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365238
PNG
(4-[2-(3,3-Difluoro-pyr- rolidin-1-yl)-6-(4-trifluo...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2(CCNCC2)C#N)c1
Show InChI InChI=1S/C20H20F5N7/c21-19(22)4-8-32(12-19)17-29-14(18(11-26)2-6-27-7-3-18)10-16(31-17)30-15-9-13(1-5-28-15)20(23,24)25/h1,5,9-10,27H,2-4,6-8,12H2,(H,28,29,30,31)
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11.7n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365303
PNG
(1-{4-[2-(1-Methyl-1H- pyrazol-4-yl)-6-(4- trifluor...)
Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)-c1cnn(C)c1
Show InChI InChI=1S/C21H22F3N7O/c1-13(32)31-7-4-14(5-8-31)17-10-19(29-20(27-17)15-11-26-30(2)12-15)28-18-9-16(3-6-25-18)21(22,23)24/h3,6,9-12,14H,4-5,7-8H2,1-2H3,(H,25,27,28,29)
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12.4n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365227
PNG
(2-{Methyl-[4-pyrrolidin- 3-yl-6-(4-trifluoromethyl...)
Show SMILES CN(CCO)c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNC1
Show InChI InChI=1S/C17H21F3N6O/c1-26(6-7-27)16-23-13(11-2-4-21-10-11)9-15(25-16)24-14-8-12(3-5-22-14)17(18,19)20/h3,5,8-9,11,21,27H,2,4,6-7,10H2,1H3,(H,22,23,24,25)
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12.6n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365243
PNG
((4-Methoxy-pyridin-2-yl)- [2-(2-methyl-pyrrolidin-...)
Show SMILES COc1ccnc(Nc2cc(nc(n2)N2CCCC2C)C2CCNCC2)c1
Show InChI InChI=1S/C20H28N6O/c1-14-4-3-11-26(14)20-23-17(15-5-8-21-9-6-15)13-19(25-20)24-18-12-16(27-2)7-10-22-18/h7,10,12-15,21H,3-6,8-9,11H2,1-2H3,(H,22,23,24,25)
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15.2n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365249
PNG
(3-Oxo-3-{4-[2-pyrrolidin- 1-yl-6-(4-trifluoromethy...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCN(CC2)C(=O)CC#N)c1
Show InChI InChI=1S/C22H24F3N7O/c23-22(24,25)16-4-8-27-18(13-16)29-19-14-17(28-21(30-19)32-9-1-2-10-32)15-5-11-31(12-6-15)20(33)3-7-26/h4,8,13-15H,1-3,5-6,9-12H2,(H,27,28,29,30)
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15.3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365241
PNG
(US9868720, No. 112 | [2-((S)-2-Methyl-pyrrolidin- ...)
Show SMILES C[C@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCNCC1 |r|
Show InChI InChI=1S/C20H25F3N6/c1-13-3-2-10-29(13)19-26-16(14-4-7-24-8-5-14)12-18(28-19)27-17-11-15(6-9-25-17)20(21,22)23/h6,9,11-14,24H,2-5,7-8,10H2,1H3,(H,25,26,27,28)/t13-/m0/s1
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15.8n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365306
PNG
(N-(4-chloropyridin-2-yl)- 2-(3,3-difluoropyrrolidi...)
Show SMILES FC1(F)CCN(C1)c1nc(Nc2cc(Cl)ccn2)cc(n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C21H25ClF2N6O/c22-15-1-5-25-18(9-15)27-19-10-17(14-2-6-29(7-3-14)16-11-31-12-16)26-20(28-19)30-8-4-21(23,24)13-30/h1,5,9-10,14,16H,2-4,6-8,11-13H2,(H,25,26,27,28)
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16n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365280
PNG
(1-Methyl-5-[2-((R)-2- methyl-pyrrolidin-1-yl)- 6-(...)
Show SMILES C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)-c1ccc(=O)n(C)c1 |r|
Show InChI InChI=1S/C21H21F3N6O/c1-13-4-3-9-30(13)20-26-16(14-5-6-19(31)29(2)12-14)11-18(28-20)27-17-10-15(7-8-25-17)21(22,23)24/h5-8,10-13H,3-4,9H2,1-2H3,(H,25,26,27,28)/t13-/m1/s1
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18.4n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365223
PNG
((4-Methyl-pyridin-2-yl)- (6-piperidin-4-yl-2- pyrr...)
Show SMILES Cc1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCNCC2)c1
Show InChI InChI=1S/C19H26N6/c1-14-4-9-21-17(12-14)23-18-13-16(15-5-7-20-8-6-15)22-19(24-18)25-10-2-3-11-25/h4,9,12-13,15,20H,2-3,5-8,10-11H2,1H3,(H,21,22,23,24)
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20.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365218
PNG
(1-(3-(2-(1-methyl-1H-pyrazol-4-yl)-6-(4-methylpyri...)
Show SMILES COc1cc(C)ccc1C(=O)N1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(C)n1
Show InChI InChI=1S/C25H29N5O2/c1-16-7-8-20(22(12-16)32-4)25(31)30-11-5-6-19(15-30)21-14-24(28-18(3)27-21)29-23-13-17(2)9-10-26-23/h7-10,12-14,19H,5-6,11,15H2,1-4H3,(H,26,27,28,29)
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20.7n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365282
PNG
(US9868720, No. 348 | [2-(2-Ethyl-morpholin- 4-yl)-...)
Show SMILES CCC1CN(CCO1)c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(C)C1
Show InChI InChI=1S/C21H27F3N6O/c1-3-16-13-30(8-9-31-16)20-26-17(14-5-7-29(2)12-14)11-19(28-20)27-18-10-15(4-6-25-18)21(22,23)24/h4,6,10-11,14,16H,3,5,7-9,12-13H2,1-2H3,(H,25,26,27,28)
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22.6n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365299
PNG
(US9868720, No. 407 | [2-Cyclobutyl-6-(1-oxetan- 3-...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)C2CCC2)C2CCCN(C2)C2COC2)c1
Show InChI InChI=1S/C22H26F3N5O/c23-22(24,25)16-6-7-26-19(9-16)28-20-10-18(27-21(29-20)14-3-1-4-14)15-5-2-8-30(11-15)17-12-31-13-17/h6-7,9-10,14-15,17H,1-5,8,11-13H2,(H,26,27,28,29)
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26n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365266
PNG
(1-{4-[2-(3,4-Difluoro- pyrrolidin-1-yl)-6-(4- trif...)
Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CC(F)C(F)C1
Show InChI InChI=1S/C21H23F5N6O/c1-12(33)31-6-3-13(4-7-31)17-9-19(29-18-8-14(2-5-27-18)21(24,25)26)30-20(28-17)32-10-15(22)16(23)11-32/h2,5,8-9,13,15-16H,3-4,6-7,10-11H2,1H3,(H,27,28,29,30)
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26.7n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365254
PNG
(1-{3-[2-(3,3-Difluoro- pyrrolidin-1-yl)-6-(4- trif...)
Show SMILES FC(F)C(=O)N1CCCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C21H21F7N6O/c22-17(23)18(35)33-6-1-2-12(10-33)14-9-16(31-15-8-13(3-5-29-15)21(26,27)28)32-19(30-14)34-7-4-20(24,25)11-34/h3,5,8-9,12,17H,1-2,4,6-7,10-11H2,(H,29,30,31,32)
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26.8n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365247
PNG
(1-Acetyl-4-[2-(3,3- difluoro-pyrrolidin-1-yl)-6- (...)
Show SMILES CC(=O)N1CCC(CC1)(C#N)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C22H22F5N7O/c1-14(35)33-7-3-20(12-28,4-8-33)16-11-18(31-17-10-15(2-6-29-17)22(25,26)27)32-19(30-16)34-9-5-21(23,24)13-34/h2,6,10-11H,3-5,7-9,13H2,1H3,(H,29,30,31,32)
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26.9n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365288
PNG
(US9868720, No. 374 | [6-(1-Methanesulfonyl- azetid...)
Show SMILES C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CN(C1)S(C)(=O)=O |r|
Show InChI InChI=1S/C19H23F3N6O2S/c1-12-4-3-7-28(12)18-24-15(13-10-27(11-13)31(2,29)30)9-17(26-18)25-16-8-14(5-6-23-16)19(20,21)22/h5-6,8-9,12-13H,3-4,7,10-11H2,1-2H3,(H,23,24,25,26)/t12-/m1/s1
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30.6n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365239
PNG
(1-{3-[6-(4-Methyl-pyridin- 2-ylamino)-2-phenyl- py...)
Show SMILES CC(=O)N1CCCC(C1)c1cc(Nc2cc(C)ccn2)nc(n1)-c1ccccc1
Show InChI InChI=1S/C23H25N5O/c1-16-10-11-24-21(13-16)26-22-14-20(19-9-6-12-28(15-19)17(2)29)25-23(27-22)18-7-4-3-5-8-18/h3-5,7-8,10-11,13-14,19H,6,9,12,15H2,1-2H3,(H,24,25,26,27)
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30.7n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365279
PNG
(US9868720, No. 330 | [6-(1-Methanesulfonyl- piperi...)
Show SMILES C[C@@H]1CCCN1c1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCN(CC1)S(C)(=O)=O |r|
Show InChI InChI=1S/C21H27F3N6O2S/c1-14-4-3-9-30(14)20-26-17(15-6-10-29(11-7-15)33(2,31)32)13-19(28-20)27-18-12-16(5-8-25-18)21(22,23)24/h5,8,12-15H,3-4,6-7,9-11H2,1-2H3,(H,25,26,27,28)/t14-/m1/s1
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31.8n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365276
PNG
(US9868720, No. 307 | {2-(3,3-Difluoro-azetidin- 1-...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CC(F)(F)C2)C2CCN(CC3CCOCC3)C2)c1
Show InChI InChI=1S/C23H27F5N6O/c24-22(25)13-34(14-22)21-30-18(16-2-6-33(12-16)11-15-3-7-35-8-4-15)10-20(32-21)31-19-9-17(1-5-29-19)23(26,27)28/h1,5,9-10,15-16H,2-4,6-8,11-14H2,(H,29,30,31,32)
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31.9n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365291
PNG
(US9868720, No. 385 | [2-Cyclopentyl-6-(1- methanes...)
Show SMILES CS(=O)(=O)N1CCCC(C1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)C1CCCC1
Show InChI InChI=1S/C21H26F3N5O2S/c1-32(30,31)29-10-4-7-15(13-29)17-12-19(28-20(26-17)14-5-2-3-6-14)27-18-11-16(8-9-25-18)21(22,23)24/h8-9,11-12,14-15H,2-7,10,13H2,1H3,(H,25,26,27,28)
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36.8n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365251
PNG
(3-{3-[2-Cyclopropyl-6- (4-trifluoromethyl- pyridin...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)C2CC2)C2CCCN(C2)C(=O)CC#N)c1
Show InChI InChI=1S/C21H21F3N6O/c22-21(23,24)15-6-8-26-17(10-15)28-18-11-16(27-20(29-18)13-3-4-13)14-2-1-9-30(12-14)19(31)5-7-25/h6,8,10-11,13-14H,1-5,9,12H2,(H,26,27,28,29)
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37n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365256
PNG
(Cyclopropyl-{3-[2-(3,3- difluoro-pyrrolidin-1-yl)-...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCN(C2)C(=O)C2CC2)c1
Show InChI InChI=1S/C22H23F5N6O/c23-21(24)5-8-33(12-21)20-29-16(14-4-7-32(11-14)19(34)13-1-2-13)10-18(31-20)30-17-9-15(3-6-28-17)22(25,26)27/h3,6,9-10,13-14H,1-2,4-5,7-8,11-12H2,(H,28,29,30,31)
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41.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365262
PNG
(1-{4-[6-(4-Trifluoromethyl- pyridin-2-ylamino)- 2-...)
Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(C1)C(F)(F)F
Show InChI InChI=1S/C22H24F6N6O/c1-13(35)33-7-3-14(4-8-33)17-11-19(31-18-10-15(2-6-29-18)21(23,24)25)32-20(30-17)34-9-5-16(12-34)22(26,27)28/h2,6,10-11,14,16H,3-5,7-9,12H2,1H3,(H,29,30,31,32)
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43.3n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365268
PNG
(US9868720, No. 252 | [2-(3,4,6,7-Tetrahydro- imida...)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCc3nc[nH]c3C2)C2CCOCC2)c1
Show InChI InChI=1S/C21H22F3N7O/c22-21(23,24)14-1-5-25-18(9-14)29-19-10-16(13-3-7-32-8-4-13)28-20(30-19)31-6-2-15-17(11-31)27-12-26-15/h1,5,9-10,12-13H,2-4,6-8,11H2,(H,26,27)(H,25,28,29,30)
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43.5n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM365222
PNG
((4-Fluoro-phenyl)-{3-[2- methyl-6-(4-trifluoro- me...)
Show SMILES Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C23H21F4N5O/c1-14-29-19(12-21(30-14)31-20-11-17(8-9-28-20)23(25,26)27)16-3-2-10-32(13-16)22(33)15-4-6-18(24)7-5-15/h4-9,11-12,16H,2-3,10,13H2,1H3,(H,28,29,30,31)
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43.6n/an/an/an/an/an/an/an/a



Amgen



Assay Description
DLK kinase reactions (20 μL) containing 5 nM N-terminally GST-tagged DLK (catalytic domain amino acid 1-520) (Carna Bioscience), 40 nM N-termina...


J Med Chem 50: 3515-27 (2007)


BindingDB Entry DOI: 10.7270/Q2J38VWN
More data for this
Ligand-Target Pair
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