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Compile Data Set for Download or QSAR

Found 387 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase 12'   
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))
BDBM50059194
PNG
(CHEMBL3393337)
Show SMILES N#Cc1ccnc(Nc2cc(cc(OC3CCC3)n2)C2CCN(CC2)C2COC2)c1
Show InChI InChI=1S/C23H27N5O2/c24-13-16-4-7-25-21(10-16)26-22-11-18(12-23(27-22)30-20-2-1-3-20)17-5-8-28(9-6-17)19-14-29-15-19/h4,7,10-12,17,19-20H,1-3,5-6,8-9,14-15H2,(H,25,26,27)
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0.200n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301575
PNG
(BDBM301631 | US10131675, Example 61)
Show SMILES CCN(C1CC1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc(N)nc1
Show InChI InChI=1S/C19H24N8O/c1-4-26(12-5-6-12)15-13-16(27-7-8-28-19(2,3)17(27)23-13)25-14(24-15)11-9-21-18(20)22-10-11/h9-10,12H,4-8H2,1-3H3,(H2,20,21,22)
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0.390n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059190
PNG
(CHEMBL3393333)
Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C23H26F2N6O/c24-23(25)4-8-31(15-23)22-11-18(17-2-6-30(7-3-17)19-13-32-14-19)10-21(29-22)28-20-9-16(12-26)1-5-27-20/h1,5,9-11,17,19H,2-4,6-8,13-15H2,(H,27,28,29)
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<0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059191
PNG
(CHEMBL3393334)
Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CN(C1)C1COC1
Show InChI InChI=1S/C21H22F2N6O/c22-21(23)2-4-28(13-21)20-7-15(16-9-29(10-16)17-11-30-12-17)6-19(27-20)26-18-5-14(8-24)1-3-25-18/h1,3,5-7,16-17H,2,4,9-13H2,(H,25,26,27)
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0.700n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059201
PNG
(CHEMBL3393329)
Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCOCC1
Show InChI InChI=1S/C20H21F2N5O/c21-20(22)4-6-27(13-20)19-11-16(15-2-7-28-8-3-15)10-18(26-19)25-17-9-14(12-23)1-5-24-17/h1,5,9-11,15H,2-4,6-8,13H2,(H,24,25,26)
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0.900n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059202
PNG
(CHEMBL3393327)
Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(c1)N1CCC(F)(F)C1
Show InChI InChI=1S/C22H24F5N5O/c1-14(33)31-7-3-15(4-8-31)16-10-19(29-18-12-17(2-6-28-18)22(25,26)27)30-20(11-16)32-9-5-21(23,24)13-32/h2,6,10-12,15H,3-5,7-9,13H2,1H3,(H,28,29,30)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059198
PNG
(CHEMBL3393340)
Show SMILES N#Cc1ccnc(Nc2cc(cc(n2)C2CC2)C2CCN(CC2)C2COC2)c1
Show InChI InChI=1S/C22H25N5O/c23-12-15-3-6-24-21(9-15)26-22-11-18(10-20(25-22)17-1-2-17)16-4-7-27(8-5-16)19-13-28-14-19/h3,6,9-11,16-17,19H,1-2,4-5,7-8,13-14H2,(H,24,25,26)
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1n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301624
PNG
(US10131675, Example 110)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(Cl)c2c1)N1CC(C1)C#N
Show InChI InChI=1S/C21H19ClN8O/c1-21(2)20-26-15-18(29-9-11(6-23)10-29)27-16(28-19(15)30(20)3-4-31-21)12-5-13-14(22)8-25-17(13)24-7-12/h5,7-8,11H,3-4,9-10H2,1-2H3,(H,24,25)
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1.25n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301643
PNG
(US10131675, Example 129)
Show SMILES CN(C)c1nc(nc2n3CCCOCc3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C19H18F3N7O/c1-28(2)17-14-18(29-4-3-5-30-9-13(29)25-14)27-15(26-17)10-6-11-12(19(20,21)22)8-24-16(11)23-7-10/h6-8H,3-5,9H2,1-2H3,(H,23,24)
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1.64n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059205
PNG
(CHEMBL3393322)
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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2n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301657
PNG
(US10131675, Example 144)
Show SMILES CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)c(c1)C#N)N1CC2CC1C2
Show InChI InChI=1S/C22H23N7O/c1-22(2)21-27-18-17(28(21)3-4-30-22)8-16(14-7-13(9-23)19(24)25-10-14)26-20(18)29-11-12-5-15(29)6-12/h7-8,10,12,15H,3-6,11H2,1-2H3,(H2,24,25)
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2.23n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059211
PNG
(CHEMBL3393314)
Show SMILES CC(C)c1ccnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)c1
Show InChI InChI=1S/C25H29N5O/c1-17(2)20-11-12-26-23(14-20)29-24-15-22(27-18(3)28-24)21-10-7-13-30(16-21)25(31)19-8-5-4-6-9-19/h4-6,8-9,11-12,14-15,17,21H,7,10,13,16H2,1-3H3,(H,26,27,28,29)
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4n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301518
PNG
(US10131675, Example 3)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1
Show InChI InChI=1S/C23H25N7O/c1-12-9-24-19-16(12)8-14(10-25-19)18-27-20-17(21(28-18)30-11-13-6-15(30)7-13)26-22-23(2,3)31-5-4-29(20)22/h8-10,13,15H,4-7,11H2,1-3H3,(H,24,25)
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4.92n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301556
PNG
(US10131675, Example 42)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(C#N)c2c1)N1CCC2(COC2)C1
Show InChI InChI=1S/C24H24N8O2/c1-23(2)22-28-17-20(31-4-3-24(11-31)12-33-13-24)29-18(30-21(17)32(22)5-6-34-23)14-7-16-15(8-25)10-27-19(16)26-9-14/h7,9-10H,3-6,11-13H2,1-2H3,(H,26,27)
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4.97n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059200
PNG
(CHEMBL3393330)
Show SMILES FC1(F)CCN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1(CCOCC1)C#N
Show InChI InChI=1S/C21H20F2N6O/c22-21(23)2-6-29(14-21)19-11-16(20(13-25)3-7-30-8-4-20)10-18(28-19)27-17-9-15(12-24)1-5-26-17/h1,5,9-11H,2-4,6-8,14H2,(H,26,27,28)
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5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059189
PNG
(CHEMBL3393332)
Show SMILES CC(C)(O)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1
Show InChI InChI=1S/C18H19F2N5O/c1-17(2,26)13-8-15(23-14-7-12(10-21)3-5-22-14)24-16(9-13)25-6-4-18(19,20)11-25/h3,5,7-9,26H,4,6,11H2,1-2H3,(H,22,23,24)
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5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301635
PNG
(US10131675, Example 121)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(C2CC2)c2nc3n(CCOC3(C)C)c2n1
Show InChI InChI=1S/C21H22N6O/c1-11-9-22-18-14(11)8-13(10-23-18)17-24-15(12-4-5-12)16-19(26-17)27-6-7-28-21(2,3)20(27)25-16/h8-10,12H,4-7H2,1-3H3,(H,22,23)
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5.48n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301554
PNG
(US10131675, Example 40)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(Cl)c2c1)N1CC(O)C1
Show InChI InChI=1S/C20H20ClN7O2/c1-20(2)19-24-14-17(27-8-11(29)9-27)25-15(26-18(14)28(19)3-4-30-20)10-5-12-13(21)7-23-16(12)22-6-10/h5-7,11,29H,3-4,8-9H2,1-2H3,(H,22,23)
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5.91n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301604
PNG
(US10131675, Example 90)
Show SMILES CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)c(c1)C(F)(F)F)N1CC2CC1C2
Show InChI InChI=1S/C22H23F3N6O/c1-21(2)20-29-17-16(30(20)3-4-32-21)8-15(28-19(17)31-10-11-5-13(31)6-11)12-7-14(22(23,24)25)18(26)27-9-12/h7-9,11,13H,3-6,10H2,1-2H3,(H2,26,27)
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5.98n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301658
PNG
(US10131675, Example 145)
Show SMILES COC1CN(C1)c1nc(nc2n3CCCOCc3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O2/c1-32-12-8-30(9-12)19-16-20(31-3-2-4-33-10-15(31)27-16)29-17(28-19)11-5-13-14(21(22,23)24)7-26-18(13)25-6-11/h5-7,12H,2-4,8-10H2,1H3,(H,25,26)
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6.49n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301553
PNG
(US10131675, Example 39)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(c2c1)C(F)(F)F)N1CC(O)C1
Show InChI InChI=1S/C21H20F3N7O2/c1-20(2)19-27-14-17(30-8-11(32)9-30)28-15(29-18(14)31(19)3-4-33-20)10-5-12-13(21(22,23)24)7-26-16(12)25-6-10/h5-7,11,32H,3-4,8-9H2,1-2H3,(H,25,26)
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6.79n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059206
PNG
(CHEMBL3393321)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCCNC2)c1
Show InChI InChI=1S/C19H21F5N6/c20-18(21)4-7-30(11-18)17-27-14(12-2-1-5-25-10-12)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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7n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059207
PNG
(CHEMBL3393320)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCCC2)C2CCCNC2)c1
Show InChI InChI=1S/C19H23F3N6/c20-19(21,22)14-5-7-24-16(10-14)26-17-11-15(13-4-3-6-23-12-13)25-18(27-17)28-8-1-2-9-28/h5,7,10-11,13,23H,1-4,6,8-9,12H2,(H,24,25,26,27)
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7n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059192
PNG
(CHEMBL3393335)
Show SMILES COC1CN(C1)c1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C23H28N6O2/c1-30-20-12-29(13-20)23-10-18(17-3-6-28(7-4-17)19-14-31-15-19)9-22(27-23)26-21-8-16(11-24)2-5-25-21/h2,5,8-10,17,19-20H,3-4,6-7,12-15H2,1H3,(H,25,26,27)
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8n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059193
PNG
(CHEMBL3393336)
Show SMILES N#Cc1ccnc(Nc2cc(cc(n2)N2CCC2)C2CCN(CC2)C2COC2)c1
Show InChI InChI=1S/C22H26N6O/c23-13-16-2-5-24-20(10-16)25-21-11-18(12-22(26-21)28-6-1-7-28)17-3-8-27(9-4-17)19-14-29-15-19/h2,5,10-12,17,19H,1,3-4,6-9,14-15H2,(H,24,25,26)
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8n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301519
PNG
(US10131675, Example 4)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC(F)C2)c2nc3n(CCOC3(C)C)c2n1
Show InChI InChI=1S/C21H22FN7O/c1-11-7-23-17-14(11)6-12(8-24-17)16-26-18(28-9-13(22)10-28)15-19(27-16)29-4-5-30-21(2,3)20(29)25-15/h6-8,13H,4-5,9-10H2,1-3H3,(H,23,24)
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9.74n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301559
PNG
(US10131675, Example 45)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cc(c2c1)C(F)(F)F)N1CC(F)C1
Show InChI InChI=1S/C21H19F4N7O/c1-20(2)19-28-14-17(31-8-11(22)9-31)29-15(30-18(14)32(19)3-4-33-20)10-5-12-13(21(23,24)25)7-27-16(12)26-6-10/h5-7,11H,3-4,8-9H2,1-2H3,(H,26,27)
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9.87n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301544
PNG
(US10131675, Example 30)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CCC3(COC3)C2)c2nc3n(CCOC3(C)C)c2n1
Show InChI InChI=1S/C24H27N7O2/c1-14-9-25-19-16(14)8-15(10-26-19)18-28-20(30-5-4-24(11-30)12-32-13-24)17-21(29-18)31-6-7-33-23(2,3)22(31)27-17/h8-10H,4-7,11-13H2,1-3H3,(H,25,26)
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10.2n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301580
PNG
(US10131675, Example 66)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1
Show InChI InChI=1S/C21H21F2N7O/c1-11-7-24-16-13(11)6-12(8-25-16)15-27-17(29-9-21(22,23)10-29)14-18(28-15)30-4-5-31-20(2,3)19(30)26-14/h6-8H,4-5,9-10H2,1-3H3,(H,24,25)
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11.9n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301546
PNG
(US10131675, Example 32)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC(O)C2)c2nc3n(CCOC3(C)C)c2n1
Show InChI InChI=1S/C21H23N7O2/c1-11-7-22-17-14(11)6-12(8-23-17)16-25-18(27-9-13(29)10-27)15-19(26-16)28-4-5-30-21(2,3)20(28)24-15/h6-8,13,29H,4-5,9-10H2,1-3H3,(H,22,23)
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13.1n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301601
PNG
(US10131675, Example 87)
Show SMILES COc1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc2[nH]cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N6O2/c1-18(2)17-25-12-15(28(17)4-5-30-18)26-13(27-16(12)29-3)9-6-10-11(19(20,21)22)8-24-14(10)23-7-9/h6-8H,4-5H2,1-3H3,(H,23,24)
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14n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059199
PNG
(CHEMBL3393331)
Show SMILES CC(C)(C#N)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1
Show InChI InChI=1S/C19H18F2N6/c1-18(2,11-23)14-8-16(25-15-7-13(10-22)3-5-24-15)26-17(9-14)27-6-4-19(20,21)12-27/h3,5,7-9H,4,6,12H2,1-2H3,(H,24,25,26)
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14n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301642
PNG
(US10131675, Example 128)
Show SMILES CN(C)c1nc(nc2n3CCCOCc3nc12)-c1cnc2[nH]cc(C#N)c2c1
Show InChI InChI=1S/C19H18N8O/c1-26(2)18-15-19(27-4-3-5-28-10-14(27)23-15)25-16(24-18)11-6-13-12(7-20)9-22-17(13)21-8-11/h6,8-9H,3-5,10H2,1-2H3,(H,21,22)
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17.9n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059210
PNG
(CHEMBL3393315)
Show SMILES Cc1nc(Nc2cc(ccn2)C2CC2)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H27N5O/c1-17-27-22(15-24(28-17)29-23-14-20(11-12-26-23)18-9-10-18)21-8-5-13-30(16-21)25(31)19-6-3-2-4-7-19/h2-4,6-7,11-12,14-15,18,21H,5,8-10,13,16H2,1H3,(H,26,27,28,29)
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18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059197
PNG
(CHEMBL3393339)
Show SMILES CCc1cc(cc(Nc2cc(ccn2)C#N)n1)C1CCN(CC1)C1COC1
Show InChI InChI=1S/C21H25N5O/c1-2-18-10-17(16-4-7-26(8-5-16)19-13-27-14-19)11-21(24-18)25-20-9-15(12-22)3-6-23-20/h3,6,9-11,16,19H,2,4-5,7-8,13-14H2,1H3,(H,23,24,25)
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18n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301630
PNG
(US10131675, Example 116)
Show SMILES CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)nc1)N1CC2CC1C2
Show InChI InChI=1S/C20H23N7O/c1-20(2)18-25-16-15(26(18)3-4-28-20)7-14(12-8-22-19(21)23-9-12)24-17(16)27-10-11-5-13(27)6-11/h7-9,11,13H,3-6,10H2,1-2H3,(H2,21,22,23)
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21.3n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059212
PNG
(CHEMBL3393312)
Show SMILES Cc1nc(Nc2cc(ccn2)C(F)(F)F)cc(n1)C1CCCN(C1)C(=O)c1ccccc1
Show InChI InChI=1S/C23H22F3N5O/c1-15-28-19(13-21(29-15)30-20-12-18(9-10-27-20)23(24,25)26)17-8-5-11-31(14-17)22(32)16-6-3-2-4-7-16/h2-4,6-7,9-10,12-13,17H,5,8,11,14H2,1H3,(H,27,28,29,30)
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24n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50128338
PNG
(CHEMBL3629019)
Show SMILES N#Cc1ccnc(Nc2cc(C3CCN(C3)C3COC3)n(n2)C2CCCC2)c1
Show InChI InChI=1S/C21H26N6O/c22-11-15-5-7-23-20(9-15)24-21-10-19(27(25-21)17-3-1-2-4-17)16-6-8-26(12-16)18-13-28-14-18/h5,7,9-10,16-18H,1-4,6,8,12-14H2,(H,23,24,25)
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25n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of N-terminally GST- tagged human DLK catalytic domain (1 to 520 amino acids) using N-terminally HIS-tagged MKK4 K131M as substrate incuba...


J Med Chem 58: 8182-99 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01072
BindingDB Entry DOI: 10.7270/Q27D2WZ0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059215
PNG
(CHEMBL3393328)
Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C#N)nc(c1)N1CCC(F)(F)C1
Show InChI InChI=1S/C22H24F2N6O/c1-15(31)29-7-3-17(4-8-29)18-11-20(27-19-10-16(13-25)2-6-26-19)28-21(12-18)30-9-5-22(23,24)14-30/h2,6,10-12,17H,3-5,7-9,14H2,1H3,(H,26,27,28)
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25n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301588
PNG
(US10131675, Example 74)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CCC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1
Show InChI InChI=1S/C22H23F2N7O/c1-12-9-25-17-14(12)8-13(10-26-17)16-28-18(30-5-4-22(23,24)11-30)15-19(29-16)31-6-7-32-21(2,3)20(31)27-15/h8-10H,4-7,11H2,1-3H3,(H,25,26)
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25.9n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301555
PNG
(US10131675, Example 41)
Show SMILES COC1CN(C1)c1nc(nc2n3CCOC(C)(C)c3nc12)-c1cnc2[nH]cc(C#N)c2c1
Show InChI InChI=1S/C22H22N8O2/c1-22(2)21-26-16-19(29-10-14(11-29)31-3)27-17(28-20(16)30(21)4-5-32-22)12-6-15-13(7-23)9-25-18(15)24-8-12/h6,8-9,14H,4-5,10-11H2,1-3H3,(H,24,25)
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30.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301648
PNG
(US10131675, Example 135)
Show SMILES Nc1ncc(cc1OC(F)F)-c1nc(N2CC3CC2C3)c2nc3COCCCn3c2n1
Show InChI InChI=1S/C20H21F2N7O2/c21-20(22)31-13-6-11(7-24-16(13)23)17-26-18-15(25-14-9-30-3-1-2-28(14)18)19(27-17)29-8-10-4-12(29)5-10/h6-7,10,12,20H,1-5,8-9H2,(H2,23,24)
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30.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301548
PNG
(US10131675, Example 34)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC3CCC2C3)c2nc3n(CCOC3(C)C)c2n1
Show InChI InChI=1S/C24H27N7O/c1-13-10-25-20-17(13)9-15(11-26-20)19-28-21-18(27-23-24(2,3)32-7-6-30(21)23)22(29-19)31-12-14-4-5-16(31)8-14/h9-11,14,16H,4-8,12H2,1-3H3,(H,25,26)
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31.8n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301659
PNG
(US10131675, Example 146)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cnc2c1)N1CC2CC1C2
Show InChI InChI=1S/C21H22N8O/c1-21(2)20-25-15-18(28(20)3-4-30-21)26-16(12-7-14-17(22-8-12)24-10-23-14)27-19(15)29-9-11-5-13(29)6-11/h7-8,10-11,13H,3-6,9H2,1-2H3,(H,22,23,24)
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US Patent
32.2n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301581
PNG
(US10131675, Example 67)
Show SMILES CC(C)c1c[nH]c2ncc(cc12)-c1nc(N2CC(F)(F)C2)c2nc3n(CCOC3(C)C)c2n1
Show InChI InChI=1S/C23H25F2N7O/c1-12(2)15-9-27-18-14(15)7-13(8-26-18)17-29-19(31-10-23(24,25)11-31)16-20(30-17)32-5-6-33-22(3,4)21(32)28-16/h7-9,12H,5-6,10-11H2,1-4H3,(H,26,27)
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32.7n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059203
PNG
(CHEMBL3393324)
Show SMILES CC(=O)N1CCC(CC1)c1cc(Nc2cc(ccn2)C(F)(F)F)nc(n1)N1CCC(F)(F)C1
Show InChI InChI=1S/C21H23F5N6O/c1-13(33)31-7-3-14(4-8-31)16-11-18(29-17-10-15(2-6-27-17)21(24,25)26)30-19(28-16)32-9-5-20(22,23)12-32/h2,6,10-11,14H,3-5,7-9,12H2,1H3,(H,27,28,29,30)
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33n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301633
PNG
(US10131675, Example 119)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc(N)c(OC(F)F)c1)C1CC1
Show InChI InChI=1S/C19H20F2N6O2/c1-19(2)17-25-13-12(9-3-4-9)24-15(26-16(13)27(17)5-6-28-19)10-7-11(29-18(20)21)14(22)23-8-10/h7-9,18H,3-6H2,1-2H3,(H2,22,23)
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34.3n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059214
PNG
(CHEMBL3393308)
Show SMILES Cc1cnc(Nc2cc(nc(C)n2)C2CCCN(C2)C(=O)c2ccccc2)s1
Show InChI InChI=1S/C21H23N5OS/c1-14-12-22-21(28-14)25-19-11-18(23-15(2)24-19)17-9-6-10-26(13-17)20(27)16-7-4-3-5-8-16/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3,(H,22,23,24,25)
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35n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM301660
PNG
(US10131675, Example 147)
Show SMILES CC1(C)OCCn2c1nc1c(nc(nc21)-c1cnc2[nH]cnc2c1)N1CC2CCC1C2
Show InChI InChI=1S/C22H24N8O/c1-22(2)21-26-16-19(29(21)5-6-31-22)27-17(13-8-15-18(23-9-13)25-11-24-15)28-20(16)30-10-12-3-4-14(30)7-12/h8-9,11-12,14H,3-7,10H2,1-2H3,(H,23,24,25)
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39.5n/an/an/an/an/an/an/an/a



Genentech, Inc.

US Patent


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...


US Patent US10131675 (2018)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))
BDBM50059204
PNG
(CHEMBL3393323)
Show SMILES FC(F)(F)c1ccnc(Nc2cc(nc(n2)N2CCC(F)(F)C2)C2CCOCC2)c1
Show InChI InChI=1S/C19H20F5N5O/c20-18(21)4-6-29(11-18)17-26-14(12-2-7-30-8-3-12)10-16(28-17)27-15-9-13(1-5-25-15)19(22,23)24/h1,5,9-10,12H,2-4,6-8,11H2,(H,25,26,27,28)
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41n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of DLK (unknown origin)


J Med Chem 58: 401-18 (2015)


Article DOI: 10.1021/jm5013984
BindingDB Entry DOI: 10.7270/Q22J6DJ5
More data for this
Ligand-Target Pair
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