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Compile Data Set for Download or QSAR

Found 562 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 2'   
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))		BDBM50300196
PNG
(10-(4-hydroxyphenyl)-8,13,15-triazatetracyclo[9.6....)
Show SMILES Oc1ccc(cc1)C1c2c[nH]c3nccc(-c4ccccc4NC1=O)c23
Show InChI InChI=1S/C21H15N3O2/c25-13-7-5-12(6-8-13)18-16-11-23-20-19(16)15(9-10-22-20)14-3-1-2-4-17(14)24-21(18)26/h1-11,18,25H,(H,22,23)(H,24,26)
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 340n/an/an/an/an/an/an/an/a



Vertex Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of GCK

J Med Chem 52: 7938-41 (2009)

Checked by Author
Article DOI: 10.1021/jm901383u
BindingDB Entry DOI: 10.7270/Q2GF0TK0
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))		BDBM50224883
PNG
(7-chloro-3-oxo-8-[(thiazol-5-ylmethyl)-amino]-11,1...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCOc2cc1NCc1cncs1)n3
Show InChI InChI=1S/C20H18ClN7O3S/c21-13-5-15-17(6-14(13)24-9-12-8-23-11-32-12)30-3-1-2-4-31-19-16(7-22)25-10-18(27-19)28-20(29)26-15/h5-6,8,10-11,24H,1-4,9H2,(H2,26,27,28,29)
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>6.52E+3n/an/an/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of MAP4K2

Bioorg Med Chem Lett 17: 6593-601 (2007)


Article DOI: 10.1016/j.bmcl.2007.09.063
BindingDB Entry DOI: 10.7270/Q2X067WT
More data for this
Ligand-Target Pair
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))		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))		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))		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))		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))		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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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))		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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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))		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))		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))		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))		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))		BDBM466705
PNG
(US10800761, Example 24)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H]2C[C@H]1CN2)-c1cccnc1C |r|
Show InChI InChI=1S/C29H27FN6O2/c1-17-21(5-4-11-31-17)18-8-9-23(25(13-18)36-16-19-14-20(36)15-33-19)35-29(37)24-10-12-32-28(34-24)27-22(30)6-3-7-26(27)38-2/h3-13,19-20,33H,14-16H2,1-2H3,(H,35,37)/t19-,20-/m0/s1
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n/an/a 40n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig

Citation and Details
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))		BDBM466682
PNG
(US10800761, Example 1 | US11731958, Example 1)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@H]2C[C@@H]1CN2 |r|
Show InChI InChI=1S/C23H21F2N5O2/c1-32-20-4-2-3-16(25)21(20)22-26-8-7-17(28-22)23(31)29-18-9-13(24)5-6-19(18)30-12-14-10-15(30)11-27-14/h2-9,14-15,27H,10-12H2,1H3,(H,29,31)/t14-,15-/m1/s1
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n/an/a 104n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig

Citation and Details
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))		BDBM466723
PNG
(US10800761, Example 42 | US10800761, Example 55 | ...)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cnccc1C#N |r|
Show InChI InChI=1S/C29H26FN7O3/c1-40-26-4-2-3-22(30)27(26)28-34-10-8-24(35-28)29(39)36-23-6-5-17(21-14-33-9-7-18(21)13-31)11-25(23)37-15-19(32)12-20(37)16-38/h2-11,14,19-20,38H,12,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1
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n/an/a 242n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig

Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))		BDBM50406013
PNG
(CHEMBL5267188)
Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(CF)=CC(C)(CF)Nc12 |c:19|
Show InChI InChI=1S/C18H21F2N5O/c1-18(9-20)6-12(7-19)13-4-10(5-14(26-2)15(13)25-18)3-11-8-23-17(22)24-16(11)21/h4-6,8,25H,3,7,9H2,1-2H3,(H4,21,22,23,24)
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n/an/a 356n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig

Citation and Details
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))		BDBM466727
PNG
(US10800761, Example 46 | US11731958, Example 46)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1ncccc1C#N |r|
Show InChI InChI=1S/C29H26FN7O3/c1-40-25-6-2-5-21(30)26(25)28-34-11-9-23(35-28)29(39)36-22-8-7-17(27-18(14-31)4-3-10-33-27)12-24(22)37-15-19(32)13-20(37)16-38/h2-12,19-20,38H,13,15-16,32H2,1H3,(H,36,39)/t19-,20-/m0/s1
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n/an/a 464n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig

Citation and Details
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))		BDBM459441
PNG
(US10752635, Example 3, Peak 1 | US11492354, Exampl...)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)c2n(C)ncc2c1N1C[C@@H](N)C[C@H]1CO |r|
Show InChI InChI=1S/C25H25F2N7O3/c1-33-22-15(10-30-33)23(34-11-13(28)8-14(34)12-35)19(9-17(22)27)32-25(36)18-6-7-29-24(31-18)21-16(26)4-3-5-20(21)37-2/h3-7,9-10,13-14,35H,8,11-12,28H2,1-2H3,(H,32,36)/t13-,14-/m0/s1
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n/an/a 530n/an/an/an/an/an/a


TBA

Assay Description
Inhibitory activity against Dihydrofolate reductase obtained from rat liver; Range 260-370

Citation and Details
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 2


(Homo sapiens (Human))		BDBM466687
PNG
(US10800761, Example 6 | US11731958, Example 6 | US...)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1cc(F)ccc1N1C[C@@H](N)C[C@H]1CO |r|
Show InChI InChI=1S/C23H23F2N5O3/c1-33-20-4-2-3-16(25)21(20)22-27-8-7-17(28-22)23(32)29-18-9-13(24)5-6-19(18)30-11-14(26)10-15(30)12-31/h2-9,14-15,31H,10-12,26H2,1H3,(H,29,32)/t14-,15-/m0/s1
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n/an/a 570n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig

Citation and Details
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))		BDBM466724
PNG
(US10800761, Example 43 | US11731958, Example 43)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1cccnc1C |r|
Show InChI InChI=1S/C29H29FN6O3/c1-17-21(5-4-11-32-17)18-8-9-23(25(13-18)36-15-19(31)14-20(36)16-37)35-29(38)24-10-12-33-28(34-24)27-22(30)6-3-7-26(27)39-2/h3-13,19-20,37H,14-16,31H2,1-2H3,(H,35,38)/t19-,20-/m0/s1
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n/an/a 819n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig

Citation and Details
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))		BDBM466728
PNG
(US10800761, Example 47 | US11731958, Example 47)
Show SMILES COc1cccc(F)c1-c1nccc(n1)C(=O)Nc1ccc(cc1N1C[C@@H](N)C[C@H]1CO)-c1c(cnn1C)C#N |r|
Show InChI InChI=1S/C28H27FN8O3/c1-36-26(17(12-30)13-33-36)16-6-7-21(23(10-16)37-14-18(31)11-19(37)15-38)35-28(39)22-8-9-32-27(34-22)25-20(29)4-3-5-24(25)40-2/h3-10,13,18-19,38H,11,14-15,31H2,1-2H3,(H,35,39)/t18-,19-/m0/s1
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n/an/a 1.05E+3n/an/an/an/an/an/a


TBA

Assay Description
Histamine H2 receptor antagonism on the right atrium of the guinea pig

Citation and Details
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
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