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Compile Data Set for Download or QSAR

Found 321 hits of ki data for polymerid = 50004844   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		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)


BindingDB Entry DOI: 10.7270/Q21G0P92
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))		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))		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))		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))		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))		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))		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))		BDBM50271221
PNG
(CHEMBL3717769)
Show SMILES [H][C@@]12CN(CC(F)F)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C19H22F5N5/c1-9(2)29-15(17-11-6-28(7-12(11)17)8-16(20)21)4-14(27-29)10-3-13(19(22,23)24)18(25)26-5-10/h3-5,9,11-12,16-17H,6-8H2,1-2H3,(H2,25,26)/t11-,12+,17+
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 1n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
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))		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))		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)


BindingDB Entry DOI: 10.7270/Q21G0P92
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))		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)


BindingDB Entry DOI: 10.7270/Q21G0P92
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))		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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 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))		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))		BDBM301657
PNG
(US10131675, Example 144)
Show SMILES CC1(C)OCCn2c1nc1c(nc(cc21)-c1cnc(N)c(c1)C#N)N1CC2CC1C2 |(-6.27,.53,;-5.87,-.96,;-7.36,-.56,;-6.5,-2.37,;-5.6,-3.61,;-4.06,-3.45,;-3.44,-2.05,;-4.34,-.8,;-3.44,.45,;-1.97,-.03,;-.64,.74,;.69,-.03,;.69,-1.57,;-.64,-2.34,;-1.97,-1.57,;2.03,-2.34,;2.03,-3.88,;3.36,-4.65,;4.7,-3.88,;6.03,-4.65,;4.7,-2.34,;3.36,-1.57,;6.03,-1.57,;7.36,-.8,;-.64,2.28,;-1.89,3.19,;-1.41,4.65,;.13,4.65,;.61,3.19,;-.64,3.32,)|
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)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))		BDBM50271243
PNG
(CHEMBL3718344)
Show SMILES CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(c2c1)C(F)(F)F
Show InChI InChI=1S/C22H26F3N5O/c1-13(2)30-20(14-3-5-29(6-4-14)16-11-31-12-16)8-19(28-30)15-7-17-18(22(23,24)25)10-27-21(17)26-9-15/h7-10,13-14,16H,3-6,11-12H2,1-2H3,(H,26,27)
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 2.30n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
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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 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))		BDBM50271208
PNG
(CHEMBL4128619)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC(C)C)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|
Show InChI InChI=1S/C21H26F3N5O/c1-11(2)6-29-18(19-14-7-28(8-15(14)19)13-9-30-10-13)4-17(27-29)12-3-16(21(22,23)24)20(25)26-5-12/h3-5,11,13-15,19H,6-10H2,1-2H3,(H2,25,26)/t14-,15+,19+
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 3n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))		BDBM50271233
PNG
(CHEMBL4129958)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|
Show InChI InChI=1S/C19H22F3N5O/c1-2-27-16(17-12-6-26(7-13(12)17)11-8-28-9-11)4-15(25-27)10-3-14(19(20,21)22)18(23)24-5-10/h3-5,11-13,17H,2,6-9H2,1H3,(H2,23,24)/t12-,13+,17+
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 3n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))		BDBM50271207
PNG
(CHEMBL3719135)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|
Show InChI InChI=1S/C20H24F3N5O2/c1-10(2)28-16(18-13-6-27(7-14(13)18)12-8-29-9-12)4-15(26-28)11-3-17(19(24)25-5-11)30-20(21,22)23/h3-5,10,12-14,18H,6-9H2,1-2H3,(H2,24,25)/t13-,14+,18+
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 3n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))		BDBM50271242
PNG
(CHEMBL4125721)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(OC(F)(F)F)c1)C1COC1 |r|
Show InChI InChI=1S/C21H24F3N5O2/c22-21(23,24)31-18-3-12(5-26-20(18)25)16-4-17(29(27-16)6-11-1-2-11)19-14-7-28(8-15(14)19)13-9-30-10-13/h3-5,11,13-15,19H,1-2,6-10H2,(H2,25,26)/t14-,15+,19+
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 3n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
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))		BDBM50271228
PNG
(CHEMBL4128889)
Show SMILES [H][C@@]12CN(CC(C)O)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C20H26F3N5O/c1-10(2)28-17(18-13-8-27(7-11(3)29)9-14(13)18)5-16(26-28)12-4-15(20(21,22)23)19(24)25-6-12/h4-6,10-11,13-14,18,29H,7-9H2,1-3H3,(H2,24,25)/t11?,13-,14+,18+
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 4n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))		BDBM50271212
PNG
(CHEMBL3715238)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1CC1CC1)-c1cnc(N)c(c1)C(F)(F)F)C1COC1 |r|
Show InChI InChI=1S/C21H24F3N5O/c22-21(23,24)16-3-12(5-26-20(16)25)17-4-18(29(27-17)6-11-1-2-11)19-14-7-28(8-15(14)19)13-9-30-10-13/h3-5,11,13-15,19H,1-2,6-10H2,(H2,25,26)/t14-,15+,19+
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 4n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))		BDBM50271241
PNG
(CHEMBL3718912)
Show SMILES CC(C)n1nc(cc1C1CCN(CC1)C1COC1)-c1cnc2[nH]cc(C)c2c1
Show InChI InChI=1S/C22H29N5O/c1-14(2)27-21(16-4-6-26(7-5-16)18-12-28-13-18)9-20(25-27)17-8-19-15(3)10-23-22(19)24-11-17/h8-11,14,16,18H,4-7,12-13H2,1-3H3,(H,23,24)
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 4n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
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))		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))		BDBM301518
PNG
(US10131675, Example 3)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(N2CC3CC2C3)c2nc3n(CCOC3(C)C)c2n1 |(-6.24,-.74,;-5.47,-2.07,;-6.37,-3.32,;-5.47,-4.56,;-4,-4.09,;-2.67,-4.86,;-1.33,-4.09,;-1.33,-2.55,;-2.67,-1.78,;-4,-2.55,;,-1.78,;1.33,-2.55,;2.67,-1.78,;4,-2.55,;5.47,-2.07,;6.37,-3.32,;5.47,-4.56,;4,-4.09,;4.83,-3.32,;2.67,-.24,;3.81,.8,;3.19,2.2,;1.65,2.04,;.75,3.29,;1.37,4.69,;2.91,4.86,;3.81,3.61,;4.9,4.7,;5.3,3.21,;1.33,.53,;,-.24,)|
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)


BindingDB Entry DOI: 10.7270/Q21G0P92
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)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))		BDBM50271219
PNG
(CHEMBL4125824)
Show SMILES [H][C@@]12CN(CC3COC3)C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F |r|
Show InChI InChI=1S/C21H26F3N5O/c1-11(2)29-18(19-14-7-28(8-15(14)19)6-12-9-30-10-12)4-17(27-29)13-3-16(21(22,23)24)20(25)26-5-13/h3-5,11-12,14-15,19H,6-10H2,1-2H3,(H2,25,26)/t14-,15+,19+
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 5n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
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))		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))		BDBM301635
PNG
(US10131675, Example 121)
Show SMILES Cc1c[nH]c2ncc(cc12)-c1nc(C2CC2)c2nc3n(CCOC3(C)C)c2n1 |$;;;HN;;;;;;;;;;;;;;;;;;;;;;;;$|
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)


BindingDB Entry DOI: 10.7270/Q21G0P92
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)


BindingDB Entry DOI: 10.7270/Q21G0P92
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 |(-5.95,.58,;-5.95,-.96,;-7.29,-.19,;-6.58,-2.37,;-5.67,-3.61,;-4.14,-3.45,;-3.51,-2.05,;-4.42,-.8,;-3.51,.45,;-2.05,-.03,;-.72,.74,;.62,-.03,;.62,-1.57,;-.72,-2.34,;-2.05,-1.57,;1.95,-2.34,;1.95,-3.88,;3.28,-4.65,;4.62,-3.88,;5.95,-4.65,;4.62,-2.34,;3.28,-1.57,;5.95,-1.57,;5.95,-.03,;7.29,-.8,;7.29,-2.34,;-.72,2.28,;-1.96,3.19,;-1.49,4.65,;.05,4.65,;.53,3.19,;-.9,3.38,)|
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)


BindingDB Entry DOI: 10.7270/Q21G0P92
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase 12


(Homo sapiens (Human))		BDBM50271220
PNG
(CHEMBL3718265)
Show SMILES [H][C@@]12CN(C[C@]1([H])[C@H]2c1cc(nn1C(C)C)-c1cnc(N)c(c1)C(F)(F)F)C(C)=O |r|
Show InChI InChI=1S/C19H22F3N5O/c1-9(2)27-16(17-12-7-26(10(3)28)8-13(12)17)5-15(25-27)11-4-14(19(20,21)22)18(23)24-6-11/h4-6,9,12-13,17H,7-8H2,1-3H3,(H2,23,24)/t12-,13+,17+
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 6n/an/an/an/an/an/an/an/a



WuXi AppTec Co., Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to N-terminally GST-tagged wild type human DLK (1 to 520 residues) expressed in sf21 insect cells using N-terminally His-tagged MKK4...

J Med Chem 60: 8083-8102 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00843
BindingDB Entry DOI: 10.7270/Q2639S7K
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))		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)


BindingDB Entry DOI: 10.7270/Q21G0P92
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)


BindingDB Entry DOI: 10.7270/Q21G0P92
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
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