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Compile Data Set for Download or QSAR

Found 283 hits Enz. Inhib. hit(s) with Target = 'Mitogen-activated protein kinase kinase kinase kinase 4'   
Target
(Institution)
LigandTarget
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 4


(Homo sapiens (human))
BDBM50122730
PNG
(CHEMBL3623135)
Show SMILES Nc1ncc(C(=O)NC2CC2)c2ccc(nc12)-c1cccc(F)c1
Show InChI InChI=1S/C18H15FN4O/c19-11-3-1-2-10(8-11)15-7-6-13-14(18(24)22-12-4-5-12)9-21-17(20)16(13)23-15/h1-3,6-9,12H,4-5H2,(H2,20,21)(H,22,24)
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n/an/a 1.40n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122742
PNG
(CHEMBL3623139)
Show SMILES CNC(=O)N1CC(C1)NC(=O)c1cnc(N)c2nc(ccc12)-c1cccc(F)c1
Show InChI InChI=1S/C20H19FN6O2/c1-23-20(29)27-9-13(10-27)25-19(28)15-8-24-18(22)17-14(15)5-6-16(26-17)11-3-2-4-12(21)7-11/h2-8,13H,9-10H2,1H3,(H2,22,24)(H,23,29)(H,25,28)
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n/an/a 1.60n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225901
PNG
(MAP19)
Show SMILES Cc1c[nH]nc1-c1cccc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C17H14N6/c1-10-8-21-23-15(10)12-4-2-3-11(7-12)13-5-6-14-16(22-13)17(18)20-9-19-14/h2-9H,1H3,(H,21,23)(H2,18,19,20)
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D3R
3.66n/a 3.11n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122740
PNG
(CHEMBL3623137)
Show SMILES CCC(=O)N1CC(C1)NC(=O)c1cnc(N)c2nc(ccc12)-c1cccc(F)c1
Show InChI InChI=1S/C21H20FN5O2/c1-2-18(28)27-10-14(11-27)25-21(29)16-9-24-20(23)19-15(16)6-7-17(26-19)12-4-3-5-13(22)8-12/h3-9,14H,2,10-11H2,1H3,(H2,23,24)(H,25,29)
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n/an/a 3.5n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50134771
PNG
(CHEMBL3754515)
Show SMILES Nc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H13ClN4/c17-13-4-1-10(2-5-13)14-7-12(9-21-16(14)19)11-3-6-15(18)20-8-11/h1-9H,(H2,18,20)(H2,19,21)
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n/an/a 3.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122739
PNG
(CHEMBL3623136)
Show SMILES Nc1ncc(C(=O)N[C@@H]2C[C@H](O)C2)c2ccc(nc12)-c1cccc(F)c1
Show InChI InChI=1/C19H17FN4O2/c20-11-3-1-2-10(6-11)16-5-4-14-15(9-22-18(21)17(14)24-16)19(26)23-12-7-13(25)8-12/h1-6,9,12-13,25H,7-8H2,(H2,21,22)(H,23,26)/t12-,13+
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n/an/a 3.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122741
PNG
(CHEMBL3623138)
Show SMILES Nc1ncc(C(=O)NC2CN(C2)C(=O)C2CC2)c2ccc(nc12)-c1cccc(F)c1
Show InChI InChI=1S/C22H20FN5O2/c23-14-3-1-2-13(8-14)18-7-6-16-17(9-25-20(24)19(16)27-18)21(29)26-15-10-28(11-15)22(30)12-4-5-12/h1-3,6-9,12,15H,4-5,10-11H2,(H2,24,25)(H,26,29)
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n/an/a 3.70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225884
PNG
(MAP01)
Show SMILES COc1cc(ccc1O)-c1cnc(Nc2ccc(cc2)N2CCN(C)CC2)c2nccn12
Show InChI InChI=1S/C24H26N6O2/c1-28-11-13-29(14-12-28)19-6-4-18(5-7-19)27-23-24-25-9-10-30(24)20(16-26-23)17-3-8-21(31)22(15-17)32-2/h3-10,15-16,31H,11-14H2,1-2H3,(H,26,27)
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D3R
n/an/a 3.79n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225893
PNG
(MAP12)
Show SMILES CNC(=O)c1ccc2-c3sc(cc3CCOc2c1)-c1ccnn1-c1ccc(F)cc1F
Show InChI InChI=1S/C23H17F2N3O2S/c1-26-23(29)14-2-4-16-20(10-14)30-9-7-13-11-21(31-22(13)16)19-6-8-27-28(19)18-5-3-15(24)12-17(18)25/h2-6,8,10-12H,7,9H2,1H3,(H,26,29)
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D3R
4.61n/a 3.88n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225885
PNG
(MAP02)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cnc2[nH]c3c(C)nc(nc3c2c1)-c1cnn(C)c1
Show InChI InChI=1S/C25H26N8/c1-16-22-23(30-24(28-16)19-14-27-32(3)15-19)21-12-18(13-26-25(21)29-22)17-4-6-20(7-5-17)33-10-8-31(2)9-11-33/h4-7,12-15H,8-11H2,1-3H3,(H,26,29)
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D3R
2.20n/a 5.84n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225889
PNG
(MAP07)
Show SMILES Clc1ccccc1-c1cc2cc(NC(=O)C3CC3)ncc2[nH]1
Show InChI InChI=1S/C17H14ClN3O/c18-13-4-2-1-3-12(13)14-7-11-8-16(19-9-15(11)20-14)21-17(22)10-5-6-10/h1-4,7-10,20H,5-6H2,(H,19,21,22)
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D3R
7.79n/a 5.94n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50058687
PNG
(CHEMBL3326742)
Show SMILES N(c1ccncc1)c1ncnn2cc(cc12)-c1ccccc1
Show InChI InChI=1S/C17H13N5/c1-2-4-13(5-3-1)14-10-16-17(19-12-20-22(16)11-14)21-15-6-8-18-9-7-15/h1-12H,(H,18,19,20,21)
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n/an/a 8n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay


Bioorg Med Chem Lett 24: 4546-52 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50058680
PNG
(CHEMBL3326749)
Show SMILES O=C(c1ccoc1)c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C16H11N5O2/c22-15(11-3-6-23-9-11)12-7-14-16(18-10-19-21(14)8-12)20-13-1-4-17-5-2-13/h1-10H,(H,17,18,19,20)
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n/an/a 10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay


Bioorg Med Chem Lett 24: 4546-52 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50058678
PNG
(CHEMBL3326751)
Show SMILES O=C(c1cn[nH]c1)c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C15H11N7O/c23-14(11-6-18-19-7-11)10-5-13-15(17-9-20-22(13)8-10)21-12-1-3-16-4-2-12/h1-9H,(H,18,19)(H,16,17,20,21)
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n/an/a 10n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay


Bioorg Med Chem Lett 24: 4546-52 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225887
PNG
(DT2012-0355237, MAP05)
Show SMILES NC(=O)c1ccccc1NC(=O)c1ccc(o1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H13ClN2O3/c19-12-5-3-4-11(10-12)15-8-9-16(24-15)18(23)21-14-7-2-1-6-13(14)17(20)22/h1-10H,(H2,20,22)(H,21,23)
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D3R
13.6n/a 10.2n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225896
PNG
(MAP15)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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D3R
10.7n/a 12.1n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225896
PNG
(MAP15)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1/C16H19N7/c1-10-7-20-22-14(10)11-3-2-6-23(8-11)13-5-4-12-15(21-13)16(17)19-9-18-12/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,22)(H2,17,18,19)
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D3R
10.7n/a 12.1n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50138160
PNG
(CHEMBL3753424)
Show SMILES NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H14ClN3O/c19-15-7-5-12(6-8-15)16-9-14(10-22-17(16)20)11-1-3-13(4-2-11)18(21)23/h1-10H,(H2,20,22)(H2,21,23)
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n/an/a 13n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122729
PNG
(CHEMBL3623134)
Show SMILES CNC(=O)N1CC(C1)NC(=O)c1cnc(N)c2cc(ccc12)-c1cccc(F)c1
Show InChI InChI=1S/C21H20FN5O2/c1-24-21(29)27-10-15(11-27)26-20(28)18-9-25-19(23)17-8-13(5-6-16(17)18)12-3-2-4-14(22)7-12/h2-9,15H,10-11H2,1H3,(H2,23,25)(H,24,29)(H,26,28)
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n/an/a 15n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50134772
PNG
(CHEMBL3754123)
Show SMILES Nc1ncc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H12ClN5/c16-12-3-1-9(2-4-12)13-5-10(6-19-14(13)17)11-7-20-15(18)21-8-11/h1-8H,(H2,17,19)(H2,18,20,21)
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n/an/a 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122743
PNG
(CHEMBL3623130)
Show SMILES Nc1ncc(C(=O)NC2CC2)c2ccc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C19H16FN3O/c20-13-3-1-2-11(8-13)12-4-7-15-16(9-12)18(21)22-10-17(15)19(24)23-14-5-6-14/h1-4,7-10,14H,5-6H2,(H2,21,22)(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by LC3K method


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50011536
PNG
(CHEMBL3262587)
Show SMILES Nc1ncnc2ccc(nc12)-c1cccc(F)c1
Show InChI InChI=1S/C13H9FN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)
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n/an/a 17n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay


J Med Chem 57: 3484-93 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122685
PNG
(CHEMBL3623128)
Show SMILES NC(=O)c1cnc(N)c2cc(ccc12)-c1cccc(F)c1
Show InChI InChI=1S/C16H12FN3O/c17-11-3-1-2-9(6-11)10-4-5-12-13(7-10)15(18)20-8-14(12)16(19)21/h1-8H,(H2,18,20)(H2,19,21)
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n/an/a 18n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50425862
PNG
(CHEMBL2312654)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1-c1cc(C)no1
Show InChI InChI=1S/C22H26Cl2N6O/c1-13-8-20(31-29-13)19-12-25-22(27-17-10-14(23)9-15(24)11-17)28-21(19)26-16-4-6-18(7-5-16)30(2)3/h8-12,16,18H,4-7H2,1-3H3,(H2,25,26,27,28)
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n/an/a 18n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50138128
PNG
(CHEMBL3754730)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1cc[nH]c(=O)c1
Show InChI InChI=1S/C16H12ClN3O/c17-13-3-1-10(2-4-13)14-7-12(9-20-16(14)18)11-5-6-19-15(21)8-11/h1-9H,(H2,18,20)(H,19,21)
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n/an/a 20n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50138153
PNG
(CHEMBL3754283)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(O)cc1
Show InChI InChI=1S/C18H16N2O3S/c1-24(22,23)16-8-4-13(5-9-16)17-10-14(11-20-18(17)19)12-2-6-15(21)7-3-12/h2-11,21H,1H3,(H2,19,20)
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n/an/a 21n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225891
PNG
(MAP09)
Show SMILES FC(F)(F)Cn1c(cc2cc(NC(=O)C3CC3)ncc12)-c1ccccc1Cl
Show InChI InChI=1S/C19H15ClF3N3O/c20-14-4-2-1-3-13(14)15-7-12-8-17(25-18(27)11-5-6-11)24-9-16(12)26(15)10-19(21,22)23/h1-4,7-9,11H,5-6,10H2,(H,24,25,27)
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D3R
32.5n/a 21.5n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225892
PNG
(MAP11)
Show SMILES N#Cc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C18H12N6/c19-10-13-2-1-3-14(8-13)15-9-17-18(21-12-22-24(17)11-15)23-16-4-6-20-7-5-16/h1-9,11-12H,(H,20,21,22,23)
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n/an/a 22.5n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122728
PNG
(CHEMBL3623133)
Show SMILES CC(=O)N1CC(C1)NC(=O)c1cnc(N)c2cc(ccc12)-c1cccc(F)c1
Show InChI InChI=1S/C21H19FN4O2/c1-12(27)26-10-16(11-26)25-21(28)19-9-24-20(23)18-8-14(5-6-17(18)19)13-3-2-4-15(22)7-13/h2-9,16H,10-11H2,1H3,(H2,23,24)(H,25,28)
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n/an/a 32n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122725
PNG
(CHEMBL3623131)
Show SMILES Nc1ncc(C(=O)NC2CC(O)C2)c2ccc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C20H18FN3O2/c21-13-3-1-2-11(6-13)12-4-5-16-17(7-12)19(22)23-10-18(16)20(26)24-14-8-15(25)9-14/h1-7,10,14-15,25H,8-9H2,(H2,22,23)(H,24,26)
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n/an/a 41n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50138158
PNG
(CHEMBL3752854)
Show SMILES COc1ccc(cc1)-c1cncc(c1)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C19H16N2O2/c1-23-18-8-6-14(7-9-18)17-10-16(11-21-12-17)13-2-4-15(5-3-13)19(20)22/h2-12H,1H3,(H2,20,22)
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n/an/a 45n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50122688
PNG
(CHEMBL3623129)
Show SMILES Nc1ncc(C(=O)NCC#N)c2ccc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C18H13FN4O/c19-13-3-1-2-11(8-13)12-4-5-14-15(9-12)17(21)23-10-16(14)18(24)22-7-6-20/h1-5,8-10H,7H2,(H2,21,23)(H,22,24)
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n/an/a 46n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50134774
PNG
(CHEMBL3754588)
Show SMILES NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClN2O/c19-17-7-5-13(6-8-17)16-9-15(10-21-11-16)12-1-3-14(4-2-12)18(20)22/h1-11H,(H2,20,22)
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50138162
PNG
(CHEMBL3752433)
Show SMILES NC(=O)c1ccc(cc1)-c1cncc(c1)-c1ccc(OC2CC2)cc1
Show InChI InChI=1S/C21H18N2O2/c22-21(24)16-3-1-14(2-4-16)17-11-18(13-23-12-17)15-5-7-19(8-6-15)25-20-9-10-20/h1-8,11-13,20H,9-10H2,(H2,22,24)
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n/an/a 48n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50011561
PNG
(CHEMBL3262580)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C14H10FN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
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n/an/a 58n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) by Z'LYTE assay


ACS Med Chem Lett 6: 913-8 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50011561
PNG
(CHEMBL3262580)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C14H10FN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
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n/an/a 58n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay


J Med Chem 57: 3484-93 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50011560
PNG
(CHEMBL3262579)
Show SMILES Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H11FN4/c15-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)
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n/an/a 60n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay


J Med Chem 57: 3484-93 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50138155
PNG
(CHEMBL3754304)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(N)=O
Show InChI InChI=1S/C19H17N3O3S/c1-26(24,25)16-8-6-13(7-9-16)17-10-15(11-22-18(17)20)12-2-4-14(5-3-12)19(21)23/h2-11H,1H3,(H2,20,22)(H2,21,23)
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n/an/a 64n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225898
PNG
(MAP16)
Show SMILES Nc1ncnc2ccc(nc12)N1CCC(Cc2ccccn2)C1
Show InChI InChI=1/C17H18N6/c18-17-16-14(20-11-21-17)4-5-15(22-16)23-8-6-12(10-23)9-13-3-1-2-7-19-13/h1-5,7,11-12H,6,8-10H2,(H2,18,20,21)
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D3R
78.3n/a 65.7n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50058679
PNG
(CHEMBL3326750)
Show SMILES O=C(c1cc2c(Nc3ccncc3)ncnn2c1)c1nnn[nH]1
Show InChI InChI=1S/C13H9N9O/c23-11(13-18-20-21-19-13)8-5-10-12(15-7-16-22(10)6-8)17-9-1-3-14-4-2-9/h1-7H,(H,14,15,16,17)(H,18,19,20,21)
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n/an/a 70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay


Bioorg Med Chem Lett 24: 4546-52 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50058689
PNG
(CHEMBL3326740)
Show SMILES CCOC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C14H13N5O2/c1-2-21-14(20)10-7-12-13(16-9-17-19(12)8-10)18-11-3-5-15-6-4-11/h3-9H,2H2,1H3,(H,15,16,17,18)
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n/an/a 70n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using LGRDKYKTLRQIRQ-COOH peptide substrate by LC3K assay


Bioorg Med Chem Lett 24: 4546-52 (2014)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225888
PNG
(MAP06)
Show SMILES CC(=O)NCC1Cc2cc(Cl)cc(c2O1)-c1ccncc1
Show InChI InChI=1/C16H15ClN2O2/c1-10(20)19-9-14-7-12-6-13(17)8-15(16(12)21-14)11-2-4-18-5-3-11/h2-6,8,14H,7,9H2,1H3,(H,19,20)
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D3R
109n/a 76.8n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50011564
PNG
(CHEMBL3262583 | MAP10)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
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n/an/a 77n/an/an/an/an/an/a



Genentech Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 using 5-FAM-LGRDKYKTLRQIRQ-COOH as substrate by Z'-LYTE assay


J Med Chem 57: 3484-93 (2014)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50138151
PNG
(CHEMBL3753371)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccccc1
Show InChI InChI=1S/C17H13ClN2/c18-15-8-6-13(7-9-15)16-10-14(11-20-17(16)19)12-4-2-1-3-5-12/h1-11H,(H2,19,20)
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n/an/a 84n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225895
PNG
(MAP14)
Show SMILES CN(C)CCC(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C19H20FN5O/c1-25(2)6-5-18(26)24-15-8-13(7-14(20)10-15)12-3-4-17-16(9-12)19(21)23-11-22-17/h3-4,7-11H,5-6H2,1-2H3,(H,24,26)(H2,21,22,23)
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D3R
75.5n/a 88.4n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50011564
PNG
(CHEMBL3262583 | MAP10)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C14H10ClN3/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
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D3R
108n/a 92.7n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50134773
PNG
(CHEMBL3752536)
Show SMILES NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H11ClN2O2/c17-13-7-5-10(6-8-13)14-9-19-16(21-14)12-3-1-11(2-4-12)15(18)20/h1-9H,(H2,18,20)
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PubMed
n/an/a 94n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50138135
PNG
(CHEMBL3754762)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(=O)[nH]c1
Show InChI InChI=1S/C16H12ClN3O/c17-13-4-1-10(2-5-13)14-7-12(9-20-16(14)18)11-3-6-15(21)19-8-11/h1-9H,(H2,18,20)(H,19,21)
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n/an/a 96n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 10 uM ATP (Km) by FRET assay


ACS Med Chem Lett 6: 1128-33 (2015)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM225890
PNG
(MAP08)
Show SMILES Cn1c(cc2cnc(NC(=O)C3CC3)cc12)-c1ccccc1Cl
Show InChI InChI=1S/C18H16ClN3O/c1-22-15-9-17(21-18(23)11-6-7-11)20-10-12(15)8-16(22)13-4-2-3-5-14(13)19/h2-5,8-11H,6-7H2,1H3,(H,20,21,23)
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D3R
95.4n/a 101n/an/an/an/an/an/a



D3R



Assay Description
Z'Lyte Assay


D3R 409: (2016)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (human))
BDBM50425864
PNG
(CHEMBL2312649)
Show SMILES CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C25H35Cl2N7O/c1-33(2)21-6-4-18(5-7-21)29-23-22(24(35)30-19-8-10-34(3)11-9-19)15-28-25(32-23)31-20-13-16(26)12-17(27)14-20/h12-15,18-19,21H,4-11H2,1-3H3,(H,30,35)(H2,28,29,31,32)
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Article
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n/an/a 120n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MAP4K4 (unknown origin) in presence of ATP


Bioorg Med Chem Lett 23: 1051-5 (2013)

More data for this
Ligand-Target Pair
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