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Compile Data Set for Download or QSAR

Found 65 hits of ic50 data for polymerid = 50000082   
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 2


(Homo sapiens (Human))
BDBM50459208
PNG
(CHEMBL4214342)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(nc3)N3CCN(CC3)C(C)=O)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C33H32F3N9O3/c1-20-7-8-25(39-30(47)22-5-4-6-24(15-22)33(34,35)36)16-27(20)45-19-23-17-38-31(41-29(23)42(3)32(45)48)40-26-9-10-28(37-18-26)44-13-11-43(12-14-44)21(2)46/h4-10,15-18H,11-14,19H2,1-3H3,(H,39,47)(H,38,40,41)
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n/an/a 1n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459215
PNG
(CHEMBL4202685)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C34H34F3N9O3/c1-4-44-12-14-45(15-13-44)31(48)27-11-10-26(19-38-27)41-32-39-18-23-20-46(33(49)43(3)29(23)42-32)28-17-25(9-8-21(28)2)40-30(47)22-6-5-7-24(16-22)34(35,36)37/h5-11,16-19H,4,12-15,20H2,1-3H3,(H,40,47)(H,39,41,42)
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n/an/a 2n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459203
PNG
(CHEMBL4207036)
Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)C1
Show InChI InChI=1S/C35H38F3N9O2/c1-21-6-10-26(41-32(48)23-8-9-24(29(14-23)35(36,37)38)18-46-13-12-28(20-46)44(3)4)15-30(21)47-19-25-16-40-33(43-31(25)45(5)34(47)49)42-27-11-7-22(2)39-17-27/h6-11,14-17,28H,12-13,18-20H2,1-5H3,(H,41,48)(H,40,42,43)
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n/an/a 2n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459219
PNG
(CHEMBL4207100)
Show SMILES CN1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(C)nc4)nc3N(C)C2=O)CC1
Show InChI InChI=1S/C34H36F3N9O2/c1-21-5-9-26(40-31(47)23-7-8-24(28(15-23)34(35,36)37)19-45-13-11-43(3)12-14-45)16-29(21)46-20-25-17-39-32(42-30(25)44(4)33(46)48)41-27-10-6-22(2)38-18-27/h5-10,15-18H,11-14,19-20H2,1-4H3,(H,40,47)(H,39,41,42)
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n/an/a 5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459216
PNG
(CHEMBL4213673)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3cc(C)nn3C)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C27H25F3N8O2/c1-15-8-9-20(32-24(39)17-6-5-7-19(11-17)27(28,29)30)12-21(15)38-14-18-13-31-25(34-23(18)36(3)26(38)40)33-22-10-16(2)35-37(22)4/h5-13H,14H2,1-4H3,(H,32,39)(H,31,33,34)
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n/an/a 5n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459201
PNG
(CHEMBL4217421)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3cnn(C)c3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C26H23F3N8O2/c1-15-7-8-19(32-23(38)16-5-4-6-18(9-16)26(27,28)29)10-21(15)37-13-17-11-30-24(33-20-12-31-35(2)14-20)34-22(17)36(3)25(37)39/h4-12,14H,13H2,1-3H3,(H,32,38)(H,30,33,34)
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n/an/a 6n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459211
PNG
(CHEMBL4214863)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C33H34F3N9O2/c1-4-43-12-14-44(15-13-43)28-11-10-26(19-37-28)40-31-38-18-23-20-45(32(47)42(3)29(23)41-31)27-17-25(9-8-21(27)2)39-30(46)22-6-5-7-24(16-22)33(34,35)36/h5-11,16-19H,4,12-15,20H2,1-3H3,(H,39,46)(H,38,40,41)
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n/an/a 7n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459212
PNG
(CHEMBL4207753)
Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4cnn(C)c4)nc3N(C)C2=O)C1
Show InChI InChI=1S/C33H37F3N10O2/c1-20-6-9-24(39-30(47)21-7-8-22(27(12-21)33(34,35)36)16-45-11-10-26(19-45)42(2)3)13-28(20)46-17-23-14-37-31(40-25-15-38-43(4)18-25)41-29(23)44(5)32(46)48/h6-9,12-15,18,26H,10-11,16-17,19H2,1-5H3,(H,39,47)(H,37,40,41)
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459209
PNG
(CHEMBL4209948)
Show SMILES CCN1CCN(CC1)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3cccc(c3)C(F)(F)F)ccc2C)cc1
Show InChI InChI=1S/C34H35F3N8O2/c1-4-43-14-16-44(17-15-43)28-12-10-26(11-13-28)40-32-38-20-24-21-45(33(47)42(3)30(24)41-32)29-19-27(9-8-22(29)2)39-31(46)23-6-5-7-25(18-23)34(35,36)37/h5-13,18-20H,4,14-17,21H2,1-3H3,(H,39,46)(H,38,40,41)
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Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50323777
PNG
(CHEMBL1214141 | N-(4-Methyl-3-(1-methyl-7-(6-methy...)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C28H24F3N7O2/c1-16-7-9-21(34-25(39)18-5-4-6-20(11-18)28(29,30)31)12-23(16)38-15-19-13-33-26(36-24(19)37(3)27(38)40)35-22-10-8-17(2)32-14-22/h4-14H,15H2,1-3H3,(H,34,39)(H,33,35,36)
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n/an/a 8n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM4552
PNG
(4-[(2,4-Dichloro-5-methoxyphenyl)amino]-6-methoxy-...)
Show SMILES COc1cc(Nc2c(cnc3cc(OCCCN4CCN(C)CC4)c(OC)cc23)C#N)c(Cl)cc1Cl
Show InChI InChI=1S/C26H29Cl2N5O3/c1-32-6-8-33(9-7-32)5-4-10-36-25-13-21-18(11-24(25)35-3)26(17(15-29)16-30-21)31-22-14-23(34-2)20(28)12-19(22)27/h11-14,16H,4-10H2,1-3H3,(H,30,31)
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n/an/a 9.90n/an/an/an/an/an/a



Center for Molecular Medicine of the Austrian Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of MAP4K2


Leukemia 23: 477-85 (2009)


Article DOI: 10.1038/leu.2008.334
BindingDB Entry DOI: 10.7270/Q22Z15R6
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459218
PNG
(CHEMBL4211976)
Show SMILES CN1CCN(CC1)c1ccc(cc1C(F)(F)F)C(=O)Nc1ccc(C)c(c1)N1Cc2cnc(Nc3ccc(C)nc3)nc2N(C)C1=O
Show InChI InChI=1S/C33H34F3N9O2/c1-20-5-8-24(39-30(46)22-7-10-27(26(15-22)33(34,35)36)44-13-11-42(3)12-14-44)16-28(20)45-19-23-17-38-31(41-29(23)43(4)32(45)47)40-25-9-6-21(2)37-18-25/h5-10,15-18H,11-14,19H2,1-4H3,(H,39,46)(H,38,40,41)
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n/an/a 10n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459200
PNG
(CHEMBL4213019)
Show SMILES CCN1CCN(CC1)C(=O)c1ccc(Nc2ncc3CN(C(=O)N(C)c3n2)c2cc(NC(=O)c3ccc(CN4CCC(C4)N(C)C)c(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C41H48F3N11O3/c1-6-52-15-17-54(18-16-52)38(57)34-12-11-31(22-45-34)48-39-46-21-29-24-55(40(58)51(5)36(29)49-39)35-20-30(10-7-26(35)2)47-37(56)27-8-9-28(33(19-27)41(42,43)44)23-53-14-13-32(25-53)50(3)4/h7-12,19-22,32H,6,13-18,23-25H2,1-5H3,(H,47,56)(H,46,48,49)
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n/an/a 14n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459221
PNG
(CHEMBL4216786)
Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4ccc(nc4)N4CCN(CC4)C(C)=O)nc3N(C)C2=O)C1
Show InChI InChI=1S/C40H46F3N11O3/c1-25-6-9-30(46-37(56)27-7-8-28(33(18-27)40(41,42)43)22-51-13-12-32(24-51)49(3)4)19-34(25)54-23-29-20-45-38(48-36(29)50(5)39(54)57)47-31-10-11-35(44-21-31)53-16-14-52(15-17-53)26(2)55/h6-11,18-21,32H,12-17,22-24H2,1-5H3,(H,46,56)(H,45,47,48)
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n/an/a 16n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459207
PNG
(CHEMBL4212663)
Show SMILES CN(C)C1CCN(Cc2ccc(cc2C(F)(F)F)C(=O)Nc2ccc(C)c(c2)N2Cc3cnc(Nc4cc(C)nn4C)nc3N(C)C2=O)C1
Show InChI InChI=1S/C34H39F3N10O2/c1-20-7-10-25(39-31(48)22-8-9-23(27(14-22)34(35,36)37)17-46-12-11-26(19-46)43(3)4)15-28(20)47-18-24-16-38-32(41-30(24)44(5)33(47)49)40-29-13-21(2)42-45(29)6/h7-10,13-16,26H,11-12,17-19H2,1-6H3,(H,39,48)(H,38,40,41)
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n/an/a 17n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50378568
PNG
(CHEMBL1163016)
Show SMILES CC1(C)CC(CC(C)(C)N1[O])NC(=O)c1cccc(c1)-c1cc2nccc(Nc3cccc(O)c3)n2n1 |^1:10|
Show InChI InChI=1S/C28H31N6O3/c1-27(2)16-21(17-28(3,4)34(27)37)31-26(36)19-8-5-7-18(13-19)23-15-25-29-12-11-24(33(25)32-23)30-20-9-6-10-22(35)14-20/h5-15,21,30,35H,16-17H2,1-4H3,(H,31,36)
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n/an/a 24n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


J Med Chem 53: 1238-49 (2010)


Article DOI: 10.1021/jm901525b
BindingDB Entry DOI: 10.7270/Q2QJ7J72
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459198
PNG
(CHEMBL4212150)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(c(c2)C(F)(F)F)-n2cccc2)ccc1C
Show InChI InChI=1S/C32H27F3N8O2/c1-19-6-9-23(38-29(44)21-8-11-26(42-12-4-5-13-42)25(14-21)32(33,34)35)15-27(19)43-18-22-16-37-30(40-28(22)41(3)31(43)45)39-24-10-7-20(2)36-17-24/h4-17H,18H2,1-3H3,(H,38,44)(H,37,39,40)
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n/an/a 24n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459202
PNG
(CHEMBL4211880)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)-n2cnc(C)c2)ccc1C
Show InChI InChI=1S/C32H28F3N9O2/c1-18-5-7-24(39-29(45)21-9-23(32(33,34)35)11-26(10-21)43-15-20(3)38-17-43)12-27(18)44-16-22-13-37-30(41-28(22)42(4)31(44)46)40-25-8-6-19(2)36-14-25/h5-15,17H,16H2,1-4H3,(H,39,45)(H,37,40,41)
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n/an/a 27n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50242740
PNG
(CHEMBL459850 | N-(3-(7-Amino-1-methyl-2-oxo-1,2-di...)
Show SMILES CN1C(=O)N(Cc2cnc(N)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C22H19F3N6O2/c1-12-6-7-16(28-19(32)13-4-3-5-15(8-13)22(23,24)25)9-17(12)31-11-14-10-27-20(26)29-18(14)30(2)21(31)33/h3-10H,11H2,1-2H3,(H,28,32)(H2,26,27,29)
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n/an/a 28n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459214
PNG
(CHEMBL4215989)
Show SMILES CN1C(=O)N(Cc2cnc(NCCO)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C24H23F3N6O3/c1-14-6-7-18(30-21(35)15-4-3-5-17(10-15)24(25,26)27)11-19(14)33-13-16-12-29-22(28-8-9-34)31-20(16)32(2)23(33)36/h3-7,10-12,34H,8-9,13H2,1-2H3,(H,30,35)(H,28,29,31)
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n/an/a 33n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459220
PNG
(CHEMBL4203337)
Show SMILES CCN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C30H28F3N7O2/c1-5-39-26-21(14-35-28(38-26)37-23-11-8-19(4)34-15-23)16-40(29(39)42)25-13-22(10-7-18(25)3)36-27(41)20-9-6-17(2)24(12-20)30(31,32)33/h6-15H,5,16H2,1-4H3,(H,36,41)(H,35,37,38)
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n/an/a 34n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459213
PNG
(CHEMBL4212809)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccc(C)c(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C29H26F3N7O2/c1-16-5-8-19(11-23(16)29(30,31)32)26(40)35-21-9-6-17(2)24(12-21)39-15-20-13-34-27(37-25(20)38(4)28(39)41)36-22-10-7-18(3)33-14-22/h5-14H,15H2,1-4H3,(H,35,40)(H,34,36,37)
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n/an/a 39n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459205
PNG
(CHEMBL4210482)
Show SMILES CN1C(=O)N(Cc2cnc(NC3CC3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C25H23F3N6O2/c1-14-6-7-19(30-22(35)15-4-3-5-17(10-15)25(26,27)28)11-20(14)34-13-16-12-29-23(31-18-8-9-18)32-21(16)33(2)24(34)36/h3-7,10-12,18H,8-9,13H2,1-2H3,(H,30,35)(H,29,31,32)
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n/an/a 42n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459217
PNG
(CHEMBL4218831)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)N2CCOCC2)ccc1C
Show InChI InChI=1S/C32H31F3N8O3/c1-19-4-6-24(38-29(44)21-12-23(32(33,34)35)14-26(13-21)42-8-10-46-11-9-42)15-27(19)43-18-22-16-37-30(40-28(22)41(3)31(43)45)39-25-7-5-20(2)36-17-25/h4-7,12-17H,8-11,18H2,1-3H3,(H,38,44)(H,37,39,40)
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n/an/a 45n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50323778
PNG
(CHEMBL1214142 | N-(4-Methyl-3-(1-methyl-2-oxo-7-(p...)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccccc3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C28H23F3N6O2/c1-17-11-12-22(33-25(38)18-7-6-8-20(13-18)28(29,30)31)14-23(17)37-16-19-15-32-26(34-21-9-4-3-5-10-21)35-24(19)36(2)27(37)39/h3-15H,16H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 47n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459199
PNG
(CHEMBL4215916)
Show SMILES Cc1ccc(Nc2ncc3CN(C(=O)N(c4ccccc4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C34H28F3N7O2/c1-20-9-12-23(15-28(20)34(35,36)37)31(45)40-25-13-10-21(2)29(16-25)43-19-24-17-39-32(41-26-14-11-22(3)38-18-26)42-30(24)44(33(43)46)27-7-5-4-6-8-27/h4-18H,19H2,1-3H3,(H,40,45)(H,39,41,42)
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n/an/a 55n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50389154
PNG
(CHEMBL2064666)
Show SMILES COc1c(Nc2ncc(Cl)c(N[C@@H]3[C@@H]4C[C@@H](C=C4)[C@@H]3C(N)=O)n2)ccc2CC[C@@H](CCc12)N1CCOCC1 |r,c:16|
Show InChI InChI=1S/C28H35ClN6O3/c1-37-25-20-8-7-19(35-10-12-38-13-11-35)6-4-16(20)5-9-22(25)32-28-31-15-21(29)27(34-28)33-24-18-3-2-17(14-18)23(24)26(30)36/h2-3,5,9,15,17-19,23-24H,4,6-8,10-14H2,1H3,(H2,30,36)(H2,31,32,33,34)/t17-,18+,19+,23+,24-/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Cephalon, Inc.

Curated by ChEMBL


Assay Description
Inhibition of human GCK


J Med Chem 55: 4580-93 (2012)


Article DOI: 10.1021/jm201550q
BindingDB Entry DOI: 10.7270/Q23F4QQN
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459222
PNG
(CHEMBL4213945)
Show SMILES Cc1ccc(Nc2ncc3CN(C(=O)N(C4CC4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C31H28F3N7O2/c1-17-4-7-20(12-25(17)31(32,33)34)28(42)37-22-8-5-18(2)26(13-22)40-16-21-14-36-29(38-23-9-6-19(3)35-15-23)39-27(21)41(30(40)43)24-10-11-24/h4-9,12-15,24H,10-11,16H2,1-3H3,(H,37,42)(H,36,38,39)
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n/an/a 63n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459206
PNG
(CHEMBL4205942)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2cc(cc(c2)C(F)(F)F)N2CCC(O)CC2)ccc1C
Show InChI InChI=1S/C33H33F3N8O3/c1-19-4-6-24(39-30(46)21-12-23(33(34,35)36)14-26(13-21)43-10-8-27(45)9-11-43)15-28(19)44-18-22-16-38-31(41-29(22)42(3)32(44)47)40-25-7-5-20(2)37-17-25/h4-7,12-17,27,45H,8-11,18H2,1-3H3,(H,39,46)(H,38,40,41)
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n/an/a 72n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50235830
PNG
(CHEMBL2006765)
Show SMILES CCCNC(=O)c1ccc(Nc2nc(NCC(F)(F)F)c3cc[nH]c3n2)cc1
Show InChI InChI=1S/C18H19F3N6O/c1-2-8-23-16(28)11-3-5-12(6-4-11)25-17-26-14-13(7-9-22-14)15(27-17)24-10-18(19,20)21/h3-7,9H,2,8,10H2,1H3,(H,23,28)(H3,22,24,25,26,27)
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n/an/a 115n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibitory concentration against cyclin dependent kinase-2 (CDK2)/Cyclin E


Bioorg Med Chem Lett 26: 5562-5567 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459204
PNG
(CHEMBL4206139)
Show SMILES Cc1ccc(Nc2ncc3CN(C(=O)N(Cc4ccccc4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C35H30F3N7O2/c1-21-9-12-25(15-29(21)35(36,37)38)32(46)41-27-13-10-22(2)30(16-27)44-20-26-17-40-33(42-28-14-11-23(3)39-18-28)43-31(26)45(34(44)47)19-24-7-5-4-6-8-24/h4-18H,19-20H2,1-3H3,(H,41,46)(H,40,42,43)
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n/an/a 165n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(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 387n/an/an/an/an/an/a



Sichuan University/Collaborative Innovation Center of Biotherapy

Curated by ChEMBL


Assay Description
Inhibition of recombinant human GCK (1 to 473 residues) using myelin basic protein as substrate after 40 mins in presence of [gamma-33P]-ATP by scint...


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 2


(Homo sapiens (Human))
BDBM50459210
PNG
(CHEMBL4210185)
Show SMILES Cc1ccc(Nc2ncc3CN(C(=O)N(C4CCCCC4)c3n2)c2cc(NC(=O)c3ccc(C)c(c3)C(F)(F)F)ccc2C)cn1
Show InChI InChI=1S/C34H34F3N7O2/c1-20-9-12-23(15-28(20)34(35,36)37)31(45)40-25-13-10-21(2)29(16-25)43-19-24-17-39-32(41-26-14-11-22(3)38-18-26)42-30(24)44(33(43)46)27-7-5-4-6-8-27/h9-18,27H,4-8,19H2,1-3H3,(H,40,45)(H,39,41,42)
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n/an/a 497n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50509365
PNG
(CHEMBL4564337)
Show SMILES COc1cc2c(c[nH]c2cc1Br)-c1cnc(o1)-c1ccc[nH]1
Show InChI InChI=1S/C16H12BrN3O2/c1-21-14-5-9-10(7-19-13(9)6-11(14)17)15-8-20-16(22-15)12-3-2-4-18-12/h2-8,18-19H,1H3
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n/an/a 600n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
BindingDB Entry DOI: 10.7270/Q26M3B4R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459196
PNG
(CHEMBL4211395)
Show SMILES CN1C(=O)N(Cc2cnc(NC3CCCCC3)nc12)c1cc(NC(=O)c2cccc(c2)C(F)(F)F)ccc1C
Show InChI InChI=1S/C28H29F3N6O2/c1-17-11-12-22(33-25(38)18-7-6-8-20(13-18)28(29,30)31)14-23(17)37-16-19-15-32-26(34-21-9-4-3-5-10-21)35-24(19)36(2)27(37)39/h6-8,11-15,21H,3-5,9-10,16H2,1-2H3,(H,33,38)(H,32,34,35)
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n/an/a 925n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50571440
PNG
(CHEMBL4873571)
Show SMILES CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O
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n/an/a>1.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GCK (1 to 473 residues) using myelin basic protein as substrate incubated for 40 mins in presence of [gamma-33ATP] by...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c02093
BindingDB Entry DOI: 10.7270/Q2PR80SR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50459197
PNG
(CHEMBL4209082)
Show SMILES CN1C(=O)N(Cc2cnc(Nc3ccc(C)nc3)nc12)c1cc(NC(=O)c2ccccc2)ccc1C
Show InChI InChI=1S/C27H25N7O2/c1-17-9-11-21(30-25(35)19-7-5-4-6-8-19)13-23(17)34-16-20-14-29-26(32-24(20)33(3)27(34)36)31-22-12-10-18(2)28-15-22/h4-15H,16H2,1-3H3,(H,30,35)(H,29,31,32)
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n/an/a 1.08E+3n/an/an/an/an/an/a



Korea University

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by radiometric biochemical kinase assay


J Med Chem 61: 8353-8373 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00882
BindingDB Entry DOI: 10.7270/Q2T72M31
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50509370
PNG
(CHEMBL4446434)
Show SMILES COc1cc(Br)cc2[nH]cc(-c3cnc(o3)-c3ccc[nH]3)c12
Show InChI InChI=1S/C16H12BrN3O2/c1-21-13-6-9(17)5-12-15(13)10(7-19-12)14-8-20-16(22-14)11-3-2-4-18-11/h2-8,18-19H,1H3
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n/an/a 1.20E+3n/an/an/an/an/an/a



UiT - The Arctic University of Norway

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) by [33P]-ATP filter binding kinase assay


J Med Chem 62: 10167-10181 (2019)


Article DOI: 10.1021/acs.jmedchem.9b01006
BindingDB Entry DOI: 10.7270/Q26M3B4R
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50311953
PNG
(4-(4-methyl-1H-indol-5-ylamino)-5-(3-(4-methylpipe...)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1cccc(\C=C\c2cncc(C#N)c2Nc2ccc3[nH]ccc3c2C)c1
Show InChI InChI=1S/C28H28N6O2S/c1-20-25-10-11-31-27(25)9-8-26(20)32-28-22(18-30-19-23(28)17-29)7-6-21-4-3-5-24(16-21)37(35,36)34-14-12-33(2)13-15-34/h3-11,16,18-19,31H,12-15H2,1-2H3,(H,30,32)/b7-6+
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n/an/a 1.30E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


Bioorg Med Chem Lett 19: 6575-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.031
BindingDB Entry DOI: 10.7270/Q2KD1Z1F
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50235817
PNG
(CHEMBL4078893)
Show SMILES FC(F)(F)CNc1nc(Nc2ccc(N3CCOCC3)c(Cl)c2)nc2ccoc12
Show InChI InChI=1S/C18H17ClF3N5O2/c19-12-9-11(1-2-14(12)27-4-7-28-8-5-27)24-17-25-13-3-6-29-15(13)16(26-17)23-10-18(20,21)22/h1-3,6,9H,4-5,7-8,10H2,(H2,23,24,25,26)
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n/an/a 1.57E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of MAP4K2 (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 26: 5562-5567 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50462709
PNG
(CHEMBL4245507)
Show SMILES O=C(Cc1cccc(OCCCN2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C23H27N5O2S/c29-22(27-23-26-21(17-31-23)19-5-7-24-8-6-19)16-18-3-1-4-20(15-18)30-14-2-11-28-12-9-25-10-13-28/h1,3-8,15,17,25H,2,9-14,16H2,(H,26,27,29)
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n/an/a>2.50E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin)


Bioorg Med Chem Lett 28: 2616-2621 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.043
BindingDB Entry DOI: 10.7270/Q2XP77MH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50235816
PNG
(CHEMBL4069365)
Show SMILES CC1(C)OCC(=O)Nc2cc(Nc3nc(NCC(F)(F)F)c4occc4n3)ccc12
Show InChI InChI=1S/C19H18F3N5O3/c1-18(2)11-4-3-10(7-13(11)25-14(28)8-30-18)24-17-26-12-5-6-29-15(12)16(27-17)23-9-19(20,21)22/h3-7H,8-9H2,1-2H3,(H,25,28)(H2,23,24,26,27)
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n/an/a 2.94E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of MAP4K2 (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 26: 5562-5567 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50430289
PNG
(CHEMBL2333445)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3c[nH]nc3-c2c1
Show InChI InChI=1S/C18H17N3O2S/c1-3-12-4-6-13(7-5-12)14-8-9-16-15(10-14)18-17(11-19-20-18)24(22,23)21(16)2/h4-11H,3H2,1-2H3,(H,19,20)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) using [gamma-33P]ATP


Eur J Med Chem 61: 49-60 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50311985
PNG
(3-(7-(4-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]h...)
Show SMILES CN1C[C@@H]2C[C@H]1CN2c1ccc(cc1)-c1ccnc2c(c(nn12)-c1ccncc1)-c1cccc(O)c1 |r|
Show InChI InChI=1S/C29H26N6O/c1-33-17-24-16-23(33)18-34(24)22-7-5-19(6-8-22)26-11-14-31-29-27(21-3-2-4-25(36)15-21)28(32-35(26)29)20-9-12-30-13-10-20/h2-15,23-24,36H,16-18H2,1H3/t23-,24-/m0/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of GCK


Bioorg Med Chem Lett 19: 6571-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.030
BindingDB Entry DOI: 10.7270/Q29Z9510
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50235820
PNG
(CHEMBL4066664)
Show SMILES FC(F)(F)CNc1nc(Nc2ccc3cn[nH]c3c2)nc2ccoc12
Show InChI InChI=1S/C15H11F3N6O/c16-15(17,18)7-19-13-12-10(3-4-25-12)22-14(23-13)21-9-2-1-8-6-20-24-11(8)5-9/h1-6H,7H2,(H,20,24)(H2,19,21,22,23)
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n/an/a 4.76E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of MAP4K2 (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 26: 5562-5567 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50462710
PNG
(CHEMBL4251324)
Show SMILES O=C(Cc1cccc(OCCCC2CCNCC2)c1)Nc1nc(cs1)-c1ccncc1
Show InChI InChI=1S/C24H28N4O2S/c29-23(28-24-27-22(17-31-24)20-8-12-26-13-9-20)16-19-3-1-5-21(15-19)30-14-2-4-18-6-10-25-11-7-18/h1,3,5,8-9,12-13,15,17-18,25H,2,4,6-7,10-11,14,16H2,(H,27,28,29)
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n/an/a>5.00E+3n/an/an/an/an/an/a



Vertex Pharmaceuticals, Inc

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin)


Bioorg Med Chem Lett 28: 2616-2621 (2018)


Article DOI: 10.1016/j.bmcl.2018.06.043
BindingDB Entry DOI: 10.7270/Q2XP77MH
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50235833
PNG
(CHEMBL4062803)
Show SMILES Cc1n[nH]c2cc(Nc3nc(NC4CC4)c4occc4n3)ccc12
Show InChI InChI=1S/C17H16N6O/c1-9-12-5-4-11(8-14(12)23-22-9)19-17-20-13-6-7-24-15(13)16(21-17)18-10-2-3-10/h4-8,10H,2-3H2,1H3,(H,22,23)(H2,18,19,20,21)
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n/an/a 6.24E+3n/an/an/an/an/an/a



AbbVie Bioresearch Center

Curated by ChEMBL


Assay Description
Inhibition of MAP4K2 (unknown origin) after 60 mins by TR-FRET assay


Bioorg Med Chem Lett 26: 5562-5567 (2016)


Article DOI: 10.1016/j.bmcl.2016.09.077
BindingDB Entry DOI: 10.7270/Q2WQ061V
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50436478
PNG
(CHEMBL2397314)
Show SMILES C[C@H](CC(F)(F)F)C(=O)Nc1nc(C)c(s1)-c1ccc(N)nc1 |r|
Show InChI InChI=1S/C14H15F3N4OS/c1-7(5-14(15,16)17)12(22)21-13-20-8(2)11(23-13)9-3-4-10(18)19-6-9/h3-4,6-7H,5H2,1-2H3,(H2,18,19)(H,20,21,22)/t7-/m1/s1
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n/an/a 9.70E+3n/an/an/an/an/an/a



Boehringer Ingelheim (Canada) Ltd.

Curated by ChEMBL


Assay Description
Inhibition of MAP4K2 (unknown origin)


Bioorg Med Chem Lett 23: 3841-7 (2013)


Article DOI: 10.1016/j.bmcl.2013.04.077
BindingDB Entry DOI: 10.7270/Q2BG2QCX
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50430297
PNG
(CHEMBL2333436)
Show SMILES CCc1ccc(cc1)-c1ccc2N(C)S(=O)(=O)c3cnn(CC)c3-c2c1
Show InChI InChI=1S/C20H21N3O2S/c1-4-14-6-8-15(9-7-14)16-10-11-18-17(12-16)20-19(13-21-23(20)5-2)26(24,25)22(18)3/h6-13H,4-5H2,1-3H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Takeda Pharmaceutical Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin) using [gamma-33P]ATP


Eur J Med Chem 61: 49-60 (2013)


Article DOI: 10.1016/j.ejmech.2012.06.035
BindingDB Entry DOI: 10.7270/Q2KP83HS
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))
BDBM50429867
PNG
(CHEMBL2333365)
Show SMILES Cc1c(F)c(ccc1C(=O)N1CCOc2ccc(cc2C1)-c1ccc(N)nc1)S(C)(=O)=O
Show InChI InChI=1S/C23H22FN3O4S/c1-14-18(5-7-20(22(14)24)32(2,29)30)23(28)27-9-10-31-19-6-3-15(11-17(19)13-27)16-4-8-21(25)26-12-16/h3-8,11-12H,9-10,13H2,1-2H3,(H2,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Exelixis

Curated by ChEMBL


Assay Description
Inhibition of GCK (unknown origin)


J Med Chem 56: 2218-34 (2013)


Article DOI: 10.1021/jm3007933
BindingDB Entry DOI: 10.7270/Q2ZC847X
More data for this
Ligand-Target Pair
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