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Compile Data Set for Download or QSAR

Found 223 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 3'   
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 kinase 3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.0830n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human GLK using MBP as substrate by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.0830n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


Assay Description
Inhibition of human GLK using MBP as substrate by [gamma-33P]-ATP assay


Eur J Med Chem 161: 456-467 (2019)


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552697
PNG
(CHEMBL4780798)
Show SMILES CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)C45CCN(CC4)CC5)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
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n/an/a 0.460n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552696
PNG
(CHEMBL4778959)
Show SMILES CN1CCC(CC1)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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n/an/a 1.5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548192
PNG
(CHEMBL4749141)
Show SMILES Nc1ncc(cc1OCc1ccncc1)-c1cnc(s1)C1CCNCC1
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n/an/a 3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548194
PNG
(CHEMBL4762312)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1c(Cl)ccc(F)c1Cl
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548196
PNG
(CHEMBL4753188)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2ccc(nc12)-c1cccc(F)c1
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n/an/a 12n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548191
PNG
(CHEMBL4793665)
Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
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n/an/a 17n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548195
PNG
(CHEMBL4782885)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2cc(oc12)-c1cccc(F)c1
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50510309
PNG
(CHEMBL4568440)
Show SMILES CCC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C22H24Cl2FN5O/c1-2-18(20-16(23)3-4-17(25)21(20)24)31-19-9-13(10-28-22(19)26)14-11-29-30(12-14)15-5-7-27-8-6-15/h3-4,9-12,15,18,27H,2,5-8H2,1H3,(H2,26,28)
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50510309
PNG
(CHEMBL4568440)
Show SMILES CCC(Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl
Show InChI InChI=1S/C22H24Cl2FN5O/c1-2-18(20-16(23)3-4-17(25)21(20)24)31-19-9-13(10-28-22(19)26)14-11-29-30(12-14)15-5-7-27-8-6-15/h3-4,9-12,15,18,27H,2,5-8H2,1H3,(H2,26,28)
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n/an/a 24n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50420996
PNG
(CHEMBL2086760)
Show SMILES CCN1CCC(CC1)Nc1ccc2NC(=O)C(=C(c3ncc[nH]3)c3ccc(Cl)cc3)c2c1
Show InChI InChI=1S/C25H26ClN5O/c1-2-31-13-9-18(10-14-31)29-19-7-8-21-20(15-19)23(25(32)30-21)22(24-27-11-12-28-24)16-3-5-17(26)6-4-16/h3-8,11-12,15,18,29H,2,9-10,13-14H2,1H3,(H,27,28)(H,30,32)
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n/an/a 25n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of MAP4K3


Bioorg Med Chem Lett 22: 4979-85 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.029
BindingDB Entry DOI: 10.7270/Q2XG9SD4
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548222
PNG
(CHEMBL4790577)
Show SMILES Nc1ncc(cc1NCc1c(Cl)ccc(F)c1Cl)-c1cnn(c1)C1CCNCC1
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n/an/a 31n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548211
PNG
(CHEMBL4788727)
Show SMILES Nc1ncc(cc1OCc1ccncc1)-c1cnn(c1)C1CCNCC1
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n/an/a 33n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548193
PNG
(CHEMBL4785602)
Show SMILES Nc1ncc(cc1OC1CCCCC1)-c1cnc(s1)C1CCNCC1
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n/an/a 35n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50510315
PNG
(CHEMBL518323)
Show SMILES Nc1ncc(cc1OCc1c(Cl)ccc(F)c1Cl)-c1cnn(c1)C1CCNCC1
Show InChI InChI=1S/C20H20Cl2FN5O/c21-16-1-2-17(23)19(22)15(16)11-29-18-7-12(8-26-20(18)24)13-9-27-28(10-13)14-3-5-25-6-4-14/h1-2,7-10,14,25H,3-6,11H2,(H2,24,26)
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n/an/a 39n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552695
PNG
(CHEMBL4789200)
Show SMILES CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)-c4ccncc4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
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n/an/a 41n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552691
PNG
(CHEMBL4750822)
Show SMILES CC(C)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552692
PNG
(CHEMBL4759406)
Show SMILES CC(C)(C)c1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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n/an/a 43n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552693
PNG
(CHEMBL4784181)
Show SMILES CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nc(no4)C4CC4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
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n/an/a 46n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50306682
PNG
((R)-3-(1-(2,6-dichloro-3-fluorophenyl)ethoxy)-5-(1...)
Show SMILES C[C@@H](Oc1cc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
Show InChI InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552690
PNG
(CHEMBL4758114)
Show SMILES CCc1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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n/an/a 68n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548215
PNG
(CHEMBL4757394)
Show SMILES Nc1ncc(cc1OCC1CCCCC1)-c1cnn(c1)C1CCNCC1
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n/an/a 74n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548216
PNG
(CHEMBL4790293)
Show SMILES Nc1ncc(cc1OC1CCCCC1)-c1cnn(c1)C1CCNCC1
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n/an/a 76n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548197
PNG
(CHEMBL4761177)
Show SMILES Nc1ncc(cc1OCC1CCCCC1)-c1cnc(s1)C1CCNCC1
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n/an/a 77n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548212
PNG
(CHEMBL4742776)
Show SMILES Nc1ncc(cc1OCc1ccnnc1)-c1cnn(c1)C1CCNCC1
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n/an/a 77n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548191
PNG
(CHEMBL4793665)
Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
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n/an/a 78n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552688
PNG
(CHEMBL4748045)
Show SMILES CCOC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552681
PNG
(CHEMBL4761884)
Show SMILES CNC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552698
PNG
(CHEMBL4779496)
Show SMILES Cc1nnc(o1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548228
PNG
(CHEMBL4755070)
Show SMILES Nc1ncc(cc1C#Cc1ccccc1)-c1cnn(c1)C1CCNCC1
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552689
PNG
(CHEMBL4790192)
Show SMILES Cc1noc(n1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50466038
PNG
(CHEMBL4281823)
Show SMILES CCn1cc(-c2ccc3N(CCc3c2)C(=O)Cc2cccc(OC(F)(F)F)c2)c2c(N)ncnc12
Show InChI InChI=1S/C25H22F3N5O2/c1-2-32-13-19(22-23(29)30-14-31-24(22)32)16-6-7-20-17(12-16)8-9-33(20)21(34)11-15-4-3-5-18(10-15)35-25(26,27)28/h3-7,10,12-14H,2,8-9,11H2,1H3,(H2,29,30,31)
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n/an/a 106n/an/an/an/an/an/a



Sichuan University/Collaborative Innovation Center of Biotherapy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K3 (1 to 291 residues) using RLGRDKYKTLRQI as substrate after 40 mins in presence of [gamma-33P]-ATP by scintilla...


J Med Chem 61: 11398-11414 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01652
BindingDB Entry DOI: 10.7270/Q2377CDJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548200
PNG
(CHEMBL4757177)
Show SMILES C[C@@H](Oc1nc(cnc1N)-c1cnn(c1)C1CCNCC1)c1c(Cl)ccc(F)c1Cl |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548225
PNG
(CHEMBL4782953)
Show SMILES Nc1ncc(cc1COc1ccccc1)-c1cnn(c1)C1CCNCC1
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552684
PNG
(CHEMBL4749598)
Show SMILES CCCNC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552699
PNG
(CHEMBL4784784)
Show SMILES CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnc(o4)C4CC4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552702
PNG
(CHEMBL4748154)
Show SMILES CC1(C)OC(=O)c2ccc(Nc3ncc(-c4nnco4)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548229
PNG
(CHEMBL4744805)
Show SMILES Nc1ncc(-c2cnn(c2)C2CCNCC2)c2ccc(cc12)-c1cccc(F)c1
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548218
PNG
(CHEMBL4778070)
Show SMILES Nc1ncc(cc1OCc1ccccc1Cl)-c1cnn(c1)C1CCNCC1
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548202
PNG
(CHEMBL4751159)
Show SMILES Nc1ncc(cc1OCc1ccccc1C(F)(F)F)-c1cnn(c1)C1CCNCC1
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548223
PNG
(CHEMBL4780336)
Show SMILES Nc1ncc(cc1OCc1ccccc1)-c1cnn(c1)C1CCNCC1
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548201
PNG
(CHEMBL4757014)
Show SMILES COc1ccccc1COc1cc(cnc1N)-c1cnn(c1)C1CCNCC1
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548227
PNG
(CHEMBL4782872)
Show SMILES Nc1ncc(cc1C(=O)Nc1ccccc1)-c1cnn(c1)C1CCNCC1
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TBA

Assay Description
Inhibition of GLK (unknown origin) by alphascreen assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552700
PNG
(CHEMBL4741772)
Show SMILES CN1CCC(CC1)c1nnc(o1)-c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552682
PNG
(CHEMBL4745378)
Show SMILES CCNC(=O)c1cnc(Nc2ccc3C(=O)OC(C)(C)c3c2)nc1N[C@H](CO)c1ccccc1 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50538442
PNG
(CHEMBL4638981)
Show SMILES Cc1ccc(cc1C#Cc1cnc2cccnn12)C(=O)Nc1ccc(CN2Cc3cn[nH]c3C2)c(Cl)c1
Show InChI InChI=1S/C28H22ClN7O/c1-18-4-5-20(11-19(18)7-9-24-14-30-27-3-2-10-32-36(24)27)28(37)33-23-8-6-21(25(29)12-23)15-35-16-22-13-31-34-26(22)17-35/h2-6,8,10-14H,15-17H2,1H3,(H,31,34)(H,33,37)
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n/an/a 240n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of MAP4K3 (unknown origin) assessed as residual activity incubated for 5 mins in presence of [gamma-33ATP] by scintillation counting based...


ACS Med Chem Lett 11: 491-496 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00612
BindingDB Entry DOI: 10.7270/Q2377D68
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50552686
PNG
(CHEMBL4776227)
Show SMILES CC1(C)OC(=O)c2ccc(Nc3ncc(C(N)=O)c(N[C@H](CO)c4ccccc4)n3)cc12 |r|
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TBA

Assay Description
Inhibition of GLK (unknown origin)


Citation and Details

Article DOI: 10.1021/acsmedchemlett.0c00660
BindingDB Entry DOI: 10.7270/Q2DN48N7
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548197
PNG
(CHEMBL4761177)
Show SMILES Nc1ncc(cc1OCC1CCCCC1)-c1cnc(s1)C1CCNCC1
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TBA

Assay Description
Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 3


(Homo sapiens (Human))
BDBM50548192
PNG
(CHEMBL4749141)
Show SMILES Nc1ncc(cc1OCc1ccncc1)-c1cnc(s1)C1CCNCC1
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n/an/a 278n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of GLK (unknown origin) transfected in human 293T cells co-transfected with GFP-fused PKCtheta assessed as reduction in PKCtheta phosphory...


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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