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Compile Data Set for Download or QSAR

Found 43 hits Enz. Inhib. hit(s) with all data for entry = 50045357   
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))
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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058682
PNG
(CHEMBL3326747)
Show SMILES O=C(N1CCC1)c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C15H14N6O/c22-15(20-6-1-7-20)11-8-13-14(17-10-18-21(13)9-11)19-12-2-4-16-5-3-12/h2-5,8-10H,1,6-7H2,(H,16,17,18,19)
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n/an/a 130n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058524
PNG
(CHEMBL3326739)
Show SMILES Brc1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C11H8BrN5/c12-8-5-10-11(14-7-15-17(10)6-8)16-9-1-3-13-4-2-9/h1-7H,(H,13,14,15,16)
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n/an/a 150n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058686
PNG
(CHEMBL3326743)
Show SMILES OCc1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C12H11N5O/c18-7-9-5-11-12(14-8-15-17(11)6-9)16-10-1-3-13-4-2-10/h1-6,8,18H,7H2,(H,13,14,15,16)
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n/an/a 160n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058681
PNG
(CHEMBL3326748)
Show SMILES O=C(N1CCOCC1)c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C16H16N6O2/c23-16(21-5-7-24-8-6-21)12-9-14-15(18-11-19-22(14)10-12)20-13-1-3-17-4-2-13/h1-4,9-11H,5-8H2,(H,17,18,19,20)
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n/an/a 180n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058684
PNG
(CHEMBL3326745)
Show SMILES NC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C12H10N6O/c13-11(19)8-5-10-12(15-7-16-18(10)6-8)17-9-1-3-14-4-2-9/h1-7H,(H2,13,19)(H,14,15,16,17)
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n/an/a 300n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058683
PNG
(CHEMBL3326746)
Show SMILES CCNC(=O)c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C14H14N6O/c1-2-16-14(21)10-7-12-13(17-9-18-20(12)8-10)19-11-3-5-15-6-4-11/h3-9H,2H2,1H3,(H,16,21)(H,15,17,18,19)
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n/an/a 640n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058688
PNG
(CHEMBL3326741)
Show SMILES N#Cc1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C12H8N6/c13-6-9-5-11-12(15-8-16-18(11)7-9)17-10-1-3-14-4-2-10/h1-5,7-8H,(H,14,15,16,17)
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n/an/a 710n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058685
PNG
(CHEMBL3326744)
Show SMILES CC(C)(O)c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C14H15N5O/c1-14(2,20)10-7-12-13(16-9-17-19(12)8-10)18-11-3-5-15-6-4-11/h3-9,20H,1-2H3,(H,15,16,17,18)
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n/an/a 840n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058662
PNG
(CHEMBL3326764)
Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C22H23N7/c1-27-10-12-28(13-11-27)20-4-2-17(3-5-20)18-14-21-22(24-16-25-29(21)15-18)26-19-6-8-23-9-7-19/h2-9,14-16H,10-13H2,1H3,(H,23,24,25,26)
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n/an/a 1.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058668
PNG
(CHEMBL3326760)
Show SMILES CN(C)Cc1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C20H20N6/c1-25(2)12-15-3-5-16(6-4-15)17-11-19-20(22-14-23-26(19)13-17)24-18-7-9-21-10-8-18/h3-11,13-14H,12H2,1-2H3,(H,21,22,23,24)
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n/an/a 1.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058514
PNG
(CHEMBL3326655)
Show SMILES N(c1ccncc1)c1ncnn2cccc12
Show InChI InChI=1S/C11H9N5/c1-2-10-11(13-8-14-16(10)7-1)15-9-3-5-12-6-4-9/h1-8H,(H,12,13,14,15)
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n/an/a 1.60E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058665
PNG
(CHEMBL3326799)
Show SMILES C1CN(CCO1)c1ccc(cn1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C20H19N7O/c1-2-19(26-7-9-28-10-8-26)22-12-15(1)16-11-18-20(23-14-24-27(18)13-16)25-17-3-5-21-6-4-17/h1-6,11-14H,7-10H2,(H,21,23,24,25)
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n/an/a 2.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058666
PNG
(CHEMBL3326762)
Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C19H17N5O2S/c1-2-27(25,26)17-5-3-14(4-6-17)15-11-18-19(21-13-22-24(18)12-15)23-16-7-9-20-10-8-16/h3-13H,2H2,1H3,(H,20,21,22,23)
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n/an/a 2.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058664
PNG
(CHEMBL3326766)
Show SMILES CN1CCN(CC1)c1ccc(cn1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C21H22N8/c1-27-8-10-28(11-9-27)20-3-2-16(13-23-20)17-12-19-21(24-15-25-29(19)14-17)26-18-4-6-22-7-5-18/h2-7,12-15H,8-11H2,1H3,(H,22,24,25,26)
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n/an/a 2.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058661
PNG
(CHEMBL3326763)
Show SMILES CNS(=O)(=O)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C18H16N6O2S/c1-19-27(25,26)16-4-2-13(3-5-16)14-10-17-18(21-12-22-24(17)11-14)23-15-6-8-20-9-7-15/h2-12,19H,1H3,(H,20,21,22,23)
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n/an/a 2.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058663
PNG
(CHEMBL3326765)
Show SMILES C1CN(CCO1)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C21H20N6O/c1-3-19(26-9-11-28-12-10-26)4-2-16(1)17-13-20-21(23-15-24-27(20)14-17)25-18-5-7-22-8-6-18/h1-8,13-15H,9-12H2,(H,22,23,24,25)
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n/an/a 2.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058671
PNG
(CHEMBL3326757)
Show SMILES OCc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C18H15N5O/c24-11-13-2-1-3-14(8-13)15-9-17-18(20-12-21-23(17)10-15)22-16-4-6-19-7-5-16/h1-10,12,24H,11H2,(H,19,20,21,22)
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n/an/a 3.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058654
PNG
(CHEMBL3326801)
Show SMILES OCCn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C22H19N7O/c30-10-9-28-13-19(12-25-28)17-3-1-16(2-4-17)18-11-21-22(24-15-26-29(21)14-18)27-20-5-7-23-8-6-20/h1-8,11-15,30H,9-10H2,(H,23,24,26,27)
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n/an/a 3.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058667
PNG
(CHEMBL3326761)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C18H15N5O2S/c1-26(24,25)16-4-2-13(3-5-16)14-10-17-18(20-12-21-23(17)11-14)22-15-6-8-19-9-7-15/h2-12H,1H3,(H,19,20,21,22)
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n/an/a 4.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058653
PNG
(CHEMBL3326802)
Show SMILES CC(C)(O)Cn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C24H23N7O/c1-24(2,32)15-30-13-20(12-27-30)18-5-3-17(4-6-18)19-11-22-23(26-16-28-31(22)14-19)29-21-7-9-25-10-8-21/h3-14,16,32H,15H2,1-2H3,(H,25,26,28,29)
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n/an/a 5.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058656
PNG
(CHEMBL3326800)
Show SMILES C(Cn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1)N1CCOCC1
Show InChI InChI=1S/C26H26N8O/c1-3-21(23-16-29-33(17-23)10-9-32-11-13-35-14-12-32)4-2-20(1)22-15-25-26(28-19-30-34(25)18-22)31-24-5-7-27-8-6-24/h1-8,15-19H,9-14H2,(H,27,28,30,31)
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n/an/a 6.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058669
PNG
(CHEMBL3326759)
Show SMILES OCc1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C18H15N5O/c24-11-13-1-3-14(4-2-13)15-9-17-18(20-12-21-23(17)10-15)22-16-5-7-19-8-6-16/h1-10,12,24H,11H2,(H,19,20,21,22)
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n/an/a 6.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058674
PNG
(CHEMBL3326755)
Show SMILES Cc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C18H15N5/c1-13-3-2-4-14(9-13)15-10-17-18(20-12-21-23(17)11-15)22-16-5-7-19-8-6-16/h2-12H,1H3,(H,19,20,21,22)
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n/an/a 7.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058525
PNG
(CHEMBL3326804)
Show SMILES CNC(=O)C(C)(C)n1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C25H24N8O/c1-25(2,24(34)26-3)33-15-20(13-29-33)18-6-4-17(5-7-18)19-12-22-23(28-16-30-32(22)14-19)31-21-8-10-27-11-9-21/h4-16H,1-3H3,(H,26,34)(H,27,28,30,31)
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n/an/a 8.00E+3n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058586
PNG
(CHEMBL3326803)
Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C23H20N8O/c1-24-22(32)14-30-12-19(11-27-30)17-4-2-16(3-5-17)18-10-21-23(26-15-28-31(21)13-18)29-20-6-8-25-9-7-20/h2-13,15H,14H2,1H3,(H,24,32)(H,25,26,28,29)
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n/an/a 1.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058670
PNG
(CHEMBL3326758)
Show SMILES Fc1ccc(cc1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C17H12FN5/c18-14-3-1-12(2-4-14)13-9-16-17(20-11-21-23(16)10-13)22-15-5-7-19-8-6-15/h1-11H,(H,19,20,21,22)
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n/an/a 1.00E+4n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058677
PNG
(CHEMBL3326752)
Show SMILES Fc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C17H12FN5/c18-15-4-2-1-3-14(15)12-9-16-17(20-11-21-23(16)10-12)22-13-5-7-19-8-6-13/h1-11H,(H,19,20,21,22)
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n/an/a 1.10E+4n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058676
PNG
(CHEMBL3326753)
Show SMILES Cc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C18H15N5/c1-13-4-2-3-5-16(13)14-10-17-18(20-12-21-23(17)11-14)22-15-6-8-19-9-7-15/h2-12H,1H3,(H,19,20,21,22)
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n/an/a 1.90E+4n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058673
PNG
(CHEMBL3326756)
Show SMILES Clc1cccc(c1)-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C17H12ClN5/c18-14-3-1-2-12(8-14)13-9-16-17(20-11-21-23(16)10-13)22-15-4-6-19-7-5-15/h1-11H,(H,19,20,21,22)
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n/an/a 2.30E+4n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058675
PNG
(CHEMBL3326754)
Show SMILES Clc1ccccc1-c1cc2c(Nc3ccncc3)ncnn2c1
Show InChI InChI=1S/C17H12ClN5/c18-15-4-2-1-3-14(15)12-9-16-17(20-11-21-23(16)10-12)22-13-5-7-19-8-6-13/h1-11H,(H,19,20,21,22)
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n/an/a 3.70E+4n/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)


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058691
PNG
(CHEMBL3326651)
Show SMILES CNc1ncnn2cccc12
Show InChI InChI=1S/C7H8N4/c1-8-7-6-3-2-4-11(6)10-5-9-7/h2-5H,1H3,(H,8,9,10)
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n/an/an/a 1.55E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K4 (unknown origin) by surface plasmon resonance assay


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


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058690
PNG
(CHEMBL3326650)
Show SMILES Nc1ncnn2cccc12
Show InChI InChI=1S/C6H6N4/c7-6-5-2-1-3-10(5)9-4-8-6/h1-4H,(H2,7,8,9)
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n/an/an/a 8.80E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K4 (unknown origin) by surface plasmon resonance assay


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


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058516
PNG
(CHEMBL3326657)
Show SMILES O(c1cccnc1)c1ncnn2cccc12
Show InChI InChI=1S/C11H8N4O/c1-3-9(7-12-5-1)16-11-10-4-2-6-15(10)14-8-13-11/h1-8H
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n/an/an/a 6.93E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K4 (unknown origin) by surface plasmon resonance assay


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


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058515
PNG
(CHEMBL3326656)
Show SMILES C1CN(CCO1)c1ncnn2cccc12
Show InChI InChI=1S/C10H12N4O/c1-2-9-10(11-8-12-14(9)3-1)13-4-6-15-7-5-13/h1-3,8H,4-7H2
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n/an/an/a 5.10E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K4 (unknown origin) by surface plasmon resonance assay


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


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058514
PNG
(CHEMBL3326655)
Show SMILES N(c1ccncc1)c1ncnn2cccc12
Show InChI InChI=1S/C11H9N5/c1-2-10-11(13-8-14-16(10)7-1)15-9-3-5-12-6-4-9/h1-8H,(H,12,13,14,15)
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n/an/an/a 8.70E+3n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K4 (unknown origin) by surface plasmon resonance assay


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


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058692
PNG
(CHEMBL3326652)
Show SMILES CC(C)Nc1ncnn2cccc12
Show InChI InChI=1S/C9H12N4/c1-7(2)12-9-8-4-3-5-13(8)11-6-10-9/h3-7H,1-2H3,(H,10,11,12)
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PC sid
UniChem
Article
PubMed
n/an/an/a 1.25E+5n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K4 (unknown origin) by surface plasmon resonance assay


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


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058512
PNG
(CHEMBL3326653)
Show SMILES N(c1cn[nH]c1)c1ncnn2cccc12
Show InChI InChI=1S/C9H8N6/c1-2-8-9(10-6-13-15(8)3-1)14-7-4-11-12-5-7/h1-6H,(H,11,12)(H,10,13,14)
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Article
PubMed
n/an/an/a 1.70E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K4 (unknown origin) by surface plasmon resonance assay


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


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50058513
PNG
(CHEMBL3326654)
Show SMILES N(c1cccnc1)c1ncnn2cccc12
Show InChI InChI=1S/C11H9N5/c1-3-9(7-12-5-1)15-11-10-4-2-6-16(10)14-8-13-11/h1-8H,(H,13,14,15)
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Article
PubMed
n/an/an/a 4.80E+4n/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Binding affinity to MAP4K4 (unknown origin) by surface plasmon resonance assay


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


Article DOI: 10.1016/j.bmcl.2014.07.071
BindingDB Entry DOI: 10.7270/Q2NG4S9D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)