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Compile Data Set for Download or QSAR

Found 1154 hits of ic50 for UniProtKB: O95819   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50548191
PNG
(CHEMBL4793665)
Show SMILES CCN1CCC(CC1)c1ncc(s1)-c1cnc(N)c(OCc2ccncc2)c1
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n/an/a 0.0900n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of human HGK using MBP as substrate assessed as residual activity by [gamma-33P]-ATP assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2018.03.032
BindingDB Entry DOI: 10.7270/Q2X3522N
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.348n/an/an/an/an/an/a


TBA

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


Citation and Details

Article DOI: 10.1016/j.bmc.2018.02.022
BindingDB Entry DOI: 10.7270/Q2DJ5KB8
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550593
PNG
(CHEMBL4746566)
Show SMILES CC(C)(Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
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n/an/a 0.400n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r|
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.570n/an/an/an/an/an/a



University of Florida

Curated by ChEMBL


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


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


Article DOI: 10.1016/j.ejmech.2018.10.052
BindingDB Entry DOI: 10.7270/Q2W380MT
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550627
PNG
(CHEMBL4787152)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(OC2(CCCC2)C(O)=O)cc1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550624
PNG
(CHEMBL4759743)
Show SMILES C[C@H](Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550629
PNG
(CHEMBL4750540)
Show SMILES CC(C)(Oc1ccc(cn1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550595
PNG
(CHEMBL4783711)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc2[C@H](CCc2c1)C(O)=O |r|
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1021/acsmedchemlett.5b00174
BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550617
PNG
(CHEMBL4781045)
Show SMILES CC(C)(C(O)=O)c1cccc(c1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
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)


Article DOI: 10.1021/acsmedchemlett.5b00174
BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550619
PNG
(CHEMBL4787142)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C1(CCOCC1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550628
PNG
(CHEMBL4740167)
Show SMILES CC(C)(Oc1cccc(c1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550623
PNG
(CHEMBL4779507)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(OCC(O)=O)cc1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550600
PNG
(CHEMBL4745446)
Show SMILES CS(=O)(=O)NC(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
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n/an/a 2.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550597
PNG
(CHEMBL4757082)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C(O)=O
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550598
PNG
(CHEMBL4751017)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(NCC(O)=O)nc1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50469353
PNG
(CHEMBL4283353)
Show SMILES CCC[C@H](C)Nc1ncc2c(cn([C@H]3CC[C@H](O)CC3)c2n1)-c1ccc(CN2CCCN(C)CC2)cc1 |r,wU:13.12,wD:16.16,3.3,(17.07,-10.92,;18.4,-10.15,;19.74,-10.92,;21.07,-10.15,;21.07,-8.61,;22.4,-10.92,;23.74,-10.15,;23.74,-8.61,;25.07,-7.84,;26.4,-8.6,;27.88,-8.12,;28.79,-9.38,;27.88,-10.63,;28.63,-11.97,;30.16,-12,;30.91,-13.35,;30.11,-14.67,;30.85,-16.02,;28.57,-14.64,;27.83,-13.29,;26.4,-10.15,;25.07,-10.92,;28.59,-6.76,;30.13,-6.7,;30.84,-5.34,;30.02,-4.03,;30.73,-2.67,;32.27,-2.6,;33,-3.97,;34.51,-4.24,;35.67,-3.22,;35.61,-1.69,;36.96,-.95,;34.36,-.79,;32.87,-1.2,;28.47,-4.1,;27.77,-5.47,)|
Show InChI InChI=1S/C30H44N6O/c1-4-6-22(2)32-30-31-19-27-28(21-36(29(27)33-30)25-11-13-26(37)14-12-25)24-9-7-23(8-10-24)20-35-16-5-15-34(3)17-18-35/h7-10,19,21-22,25-26,37H,4-6,11-18,20H2,1-3H3,(H,31,32,33)/t22-,25-,26-/m0/s1
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n/an/a 2.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged HGK (1 to 328 residues) (unknown origin) cytoplasmic domain expressed in Sf21 cells


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113534
BindingDB Entry DOI: 10.7270/Q2M90DGJ
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550594
PNG
(CHEMBL4777705)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C1(CCCC1)c1nn[nH]n1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225901
PNG
(MAP19 | US9855269, Compound 342)
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)


BindingDB Entry DOI: 10.7270/Q2R49PN1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225901
PNG
(MAP19 | US9855269, Compound 342)
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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US Patent
n/an/a 3.11n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...


J Med Chem 46: 3709-27 (2003)


BindingDB Entry DOI: 10.7270/Q2VH5R4B
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)


Article DOI: 10.1021/acsmedchemlett.5b00174
BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550616
PNG
(CHEMBL4760299)
Show SMILES CC(C)(C(O)=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550610
PNG
(CHEMBL4800212)
Show SMILES COc1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550607
PNG
(CHEMBL4788172)
Show SMILES Nc1ncc(cc1-c1ccc(cc1)C(F)(F)F)-c1ccc(cc1)C(O)=O
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
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)


Article DOI: 10.1021/acsmedchemlett.5b00174
BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
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 |r,wD:8.7,10.10,(1.33,2.77,;1.33,1.54,;2.66,.77,;2.66,-.77,;1.33,-1.54,;1.33,-3.08,;.27,-3.7,;2.67,-3.85,;2.67,-5.39,;3.76,-6.42,;2.67,-7.51,;2.67,-8.74,;1.58,-6.42,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-7.75,.92,;-5.35,.77,)|
Show InChI InChI=1S/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)


Article DOI: 10.1021/acsmedchemlett.5b00174
BindingDB Entry DOI: 10.7270/Q2M32XJB
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)


Article DOI: 10.1021/acsmedchemlett.5b00215
BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
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)


BindingDB Entry DOI: 10.7270/Q2R49PN1
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)


BindingDB Entry DOI: 10.7270/Q2R49PN1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550602
PNG
(CHEMBL4790042)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)-c1nn[nH]n1
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TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM613765
PNG
(5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...)
Show SMILES COc1ccc(NC(=O)c2ccc(o2)-c2c(ncn2C2CCCC2)-c2ccc(F)cc2)c(OC)c1
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US Patent
n/an/a 4.05n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent




US Patent US11001589 (2021)


BindingDB Entry DOI: 10.7270/Q2N30228
More data for this
Ligand-Target Pair
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 4.10n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM613795
PNG
(5-(1-cyclopentyl-4-(4-fluorophenyl)-1H-imidazol-5-...)
Show SMILES COc1ccccc1NC(=O)c1ccc(o1)-c1c(ncn1C1CCCC1)-c1ccc(F)cc1
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n/an/a 4.46n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent




US Patent US11001589 (2021)


BindingDB Entry DOI: 10.7270/Q2N30228
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550618
PNG
(CHEMBL4778859)
Show SMILES Nc1ncc(cc1-c1ccc(Cl)cc1)-c1ccc(cc1)C1(CCCC1)C(O)=O
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n/an/a 4.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM613886
PNG
(US11739078, Compound A-62 | US11739078, Compound A...)
Show SMILES O[C@H]1CC[C@H](C1)n1cnc(c1-c1ccc(o1)C(=O)Nc1ccncc1F)-c1ccc(F)cc1 |r|
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n/an/a 4.72n/an/an/an/an/an/a



ASTRAZENECA AB

US Patent




US Patent US11001589 (2021)


BindingDB Entry DOI: 10.7270/Q2N30228
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550601
PNG
(CHEMBL4780690)
Show SMILES CC(=O)NS(=O)(=O)c1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1
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n/an/a 5.60n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
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)


BindingDB Entry DOI: 10.7270/Q2R49PN1
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)


BindingDB Entry DOI: 10.7270/Q2R49PN1
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550593
PNG
(CHEMBL4746566)
Show SMILES CC(C)(Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system at physiological AT...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550609
PNG
(CHEMBL4741486)
Show SMILES Cc1ccc(cc1)-c1cc(cnc1N)-c1ccc(cc1)C(O)=O
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50550593
PNG
(CHEMBL4746566)
Show SMILES CC(C)(Oc1ccc(cc1)-c1cnc(N)c(c1)-c1ccc(Cl)cc1)C(O)=O
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n/an/a 6n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of recombinant human GST-tagged MAP4K4 catalytic domain (1 to 328 residues) expressed in baculovirus expression system pre-incubated for 3...


Citation and Details

Article DOI: 10.1021/acs.jmedchem.8b00152
BindingDB Entry DOI: 10.7270/Q2TH8RBV
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
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n/an/a 6.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...


US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
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 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
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n/an/a 6.20n/an/an/an/an/an/a



Merck Frosst Centre for Therapeutic Research



Assay Description
The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...


J Med Chem 46: 3709-27 (2003)


BindingDB Entry DOI: 10.7270/Q2VH5R4B
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 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
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n/an/a 6.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...


US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
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 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
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n/an/a 6.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...


US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
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 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
PDB
UniChem
PDB
US Patent
n/an/a 6.20n/an/an/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The kinase activity of purified human MAP4K4 kinase domain was measured by monitoring the phosphorylation of a peptide substrate derived from moesin ...


US Patent US9592235 (2017)


BindingDB Entry DOI: 10.7270/Q2VX0JKX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM585244
PNG
(US11530197, Compound 125)
Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(CCO)cc1)-c1ccc(F)cc1
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 6.5n/an/an/an/an/an/a


TBA

Assay Description
The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...


Citation and Details

BindingDB Entry DOI: 10.7270/Q270858G
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM585243
PNG
(US11530197, Compound 127)
Show SMILES CC(C)n1cnc(c1-c1cccc(n1)C(=O)Nc1ccc(cc1)N1CCN(C)CC1)-c1ccc(F)cc1
PDB
MMDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a 6.5n/an/an/an/an/an/a


TBA

Assay Description
The required volume of the 50× stock of test compound was added to the assay before a reaction mix containing the enzyme and substrate was added. The...


Citation and Details

BindingDB Entry DOI: 10.7270/Q270858G
More data for this
Ligand-Target Pair
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