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PubMed code 26617966

Compile data set for download or QSAR
Found 40 hits of Enzyme Inhibition Constant Data   
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 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
Misshapen-like kinase 1


(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 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of MINK (unknown origin) in presence of ATP (Km)


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))
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)


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))
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)


Article DOI: 10.1021/acsmedchemlett.5b00215
BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
TRAF2 and NCK-interacting protein kinase (TNIK)


(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 15n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of TNIK (unknown origin) in presence of ATP (Km)


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))
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)


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))
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)


Article DOI: 10.1021/acsmedchemlett.5b00215
BindingDB Entry DOI: 10.7270/Q2028TC6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


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))
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)


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))
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)


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))
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)


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))
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)


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))
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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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)


Article DOI: 10.1021/acsmedchemlett.5b00215
BindingDB Entry DOI: 10.7270/Q2028TC6
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)


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))
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 160n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
BDBM50138134
PNG
(CHEMBL3754611)
Show SMILES NC(=O)c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O/c17-14-5-1-11(2-6-14)13-9-19-20(10-13)15-7-3-12(4-8-15)16(18)21/h1-10H,(H2,18,21)
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n/an/a 248n/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))
BDBM50138127
PNG
(CHEMBL3753891)
Show SMILES NC(=O)c1ccc(cc1)-c1cn(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O/c17-13-5-7-14(8-6-13)20-9-15(19-10-20)11-1-3-12(4-2-11)16(18)21/h1-10H,(H2,18,21)
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n/an/a 270n/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))
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 360n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
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 470n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
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 590n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
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 600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
BDBM50138137
PNG
(CHEMBL3754522)
Show SMILES NC(=O)c1ccc(cc1)-c1nccc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN3O/c18-14-7-5-11(6-8-14)15-9-10-20-17(21-15)13-3-1-12(2-4-13)16(19)22/h1-10H,(H2,19,22)
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n/an/a 861n/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))
BDBM50138143
PNG
(CHEMBL3753160)
Show SMILES Cn1c(cnc1-c1ccc(cc1)C(N)=O)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H14ClN3O/c1-21-15(11-6-8-14(18)9-7-11)10-20-17(21)13-4-2-12(3-5-13)16(19)22/h2-10H,1H3,(H2,19,22)
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n/an/a 1.51E+3n/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))
BDBM50138159
PNG
(CHEMBL3752670)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(ccn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClN2O/c19-16-7-5-12(6-8-16)15-9-10-21-17(11-15)13-1-3-14(4-2-13)18(20)22/h1-11H,(H2,20,22)
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n/an/a 1.72E+3n/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
Potassium voltage-gated channel subfamily H member 2


(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 1.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG transfected in HEK293 cells


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))
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 2.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
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 2.90E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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
3D
3D Structure (crystal)
Cytochrome P450 1A


(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 3.00E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


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))
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 4.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
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 6.20E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
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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n/an/a 6.30E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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
3D
3D Structure (crystal)
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 7.50E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
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 9.80E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 1 mM ATP 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
Potassium voltage-gated channel subfamily H member 2


(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>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human ERG transfected in HEK293 cells


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))
BDBM50138134
PNG
(CHEMBL3754611)
Show SMILES NC(=O)c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O/c17-14-5-1-11(2-6-14)13-9-19-20(10-13)15-7-3-12(4-8-15)16(18)21/h1-10H,(H2,18,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human MAP4K4 catalytic domain in presence of 1 mM ATP 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))
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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n/an/a>1.00E+4n/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
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50138134
PNG
(CHEMBL3754611)
Show SMILES NC(=O)c1ccc(cc1)-n1cc(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O/c17-14-5-1-11(2-6-14)13-9-19-20(10-13)15-7-3-12(4-8-15)16(18)21/h1-10H,(H2,18,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
BDBM50138137
PNG
(CHEMBL3754522)
Show SMILES NC(=O)c1ccc(cc1)-c1nccc(n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C17H12ClN3O/c18-14-7-5-11(6-8-14)15-9-10-20-17(21-15)13-3-1-12(2-4-13)16(19)22/h1-10H,(H2,19,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
BDBM50138127
PNG
(CHEMBL3753891)
Show SMILES NC(=O)c1ccc(cc1)-c1cn(cn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C16H12ClN3O/c17-13-5-7-14(8-6-13)20-9-15(19-10-20)11-1-3-12(4-2-11)16(18)21/h1-10H,(H2,18,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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))
BDBM50138159
PNG
(CHEMBL3752670)
Show SMILES NC(=O)c1ccc(cc1)-c1cc(ccn1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C18H13ClN2O/c19-16-7-5-12(6-8-16)15-9-10-21-17(11-15)13-1-3-14(4-2-13)18(20)22/h1-11H,(H2,20,22)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human MAP4K4 transfected in 293 MSR cells assessed as inhibition of phosphorylation of traf2 at ser/thr residue by ELISA


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
* indicates data uncertainty>20%