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Compile Data Set for Download or QSAR

Found 86 hits with Last Name = 'boggs' and Initial = 'jw'   
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))
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)


BindingDB Entry DOI: 10.7270/Q2M32XJB
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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
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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Genentech

Curated by ChEMBL


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


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


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))
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=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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
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)


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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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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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))
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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011536
PNG
(CHEMBL3262587 | US9592235, Example 184 | US9855269...)
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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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase B-raf


(Homo sapiens (Human))
BDBM50386475
PNG
(CHEMBL2047879)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)CCCF)c1F
Show InChI InChI=1S/C16H14ClF2N5O3S2/c17-9-2-3-10(24-29(26,27)5-1-4-18)11(19)13(9)23-16(25)8-6-28-14-12(8)21-7-22-15(14)20/h2-3,6-7,24H,1,4-5H2,(H,23,25)(H2,20,21,22)
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n/an/a 22n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type B-raf in presence of 1 mM ATP


J Med Chem 55: 2869-81 (2012)


Article DOI: 10.1021/jm300016v
BindingDB Entry DOI: 10.7270/Q2XP7601
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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
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 |(-1.33,2.77,;-1.33,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;-1.33,-3.08,;-.26,-3.69,;-2.66,-3.85,;-2.65,-5.4,;-3.73,-6.44,;-2.64,-7.52,;-2.63,-8.75,;-1.55,-6.43,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;1.33,1.54,;,.77,;4,1.54,;5.33,.77,;6.66,1.53,;6.67,3.07,;5.33,3.85,;5.34,5.08,;4,3.08,)|
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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011561
PNG
(CHEMBL3262580 | US9592235, Example 174 | US9855269...)
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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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011561
PNG
(CHEMBL3262580 | US9592235, Example 174 | US9855269...)
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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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011560
PNG
(CHEMBL3262579 | US9592235, Example 187 | US9855269...)
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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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
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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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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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
RAF proto-oncogene serine/threonine-protein kinase


(Homo sapiens (Human))
BDBM50386475
PNG
(CHEMBL2047879)
Show SMILES Nc1ncnc2c(csc12)C(=O)Nc1c(Cl)ccc(NS(=O)(=O)CCCF)c1F
Show InChI InChI=1S/C16H14ClF2N5O3S2/c17-9-2-3-10(24-29(26,27)5-1-4-18)11(19)13(9)23-16(25)8-6-28-14-12(8)21-7-22-15(14)20/h2-3,6-7,24H,1,4-5H2,(H,23,25)(H2,20,21,22)
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Genentech

Curated by ChEMBL


Assay Description
Inhibition of wild type C-raf in presence of 1 mM ATP


J Med Chem 55: 2869-81 (2012)


Article DOI: 10.1021/jm300016v
BindingDB Entry DOI: 10.7270/Q2XP7601
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011564
PNG
(CHEMBL3262583 | MAP10 | US9592235, Example 158 | U...)
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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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011551
PNG
(CHEMBL3262570 | US9592235, Example 268 | US9855269...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccccc1
Show InChI InChI=1S/C14H11N3/c15-14-12-8-11(10-4-2-1-3-5-10)6-7-13(12)16-9-17-14/h1-9H,(H2,15,16,17)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
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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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))
BDBM50011568
PNG
(CHEMBL3262584 | US9592235, Example 186 | US9855269...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H9F2N3/c15-10-3-9(4-11(16)6-10)8-1-2-13-12(5-8)14(17)19-7-18-13/h1-7H,(H2,17,18,19)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
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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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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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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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))
BDBM50011550
PNG
(CHEMBL3262569)
Show SMILES Nc1cccc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H12N4/c15-11-3-1-2-9(6-11)10-4-5-13-12(7-10)14(16)18-8-17-13/h1-8H,15H2,(H2,16,17,18)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011556
PNG
(CHEMBL3262575 | US9592235, Example 164 | US9855269...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(c1)C#N
Show InChI InChI=1S/C15H10N4/c16-8-10-2-1-3-11(6-10)12-4-5-14-13(7-12)15(17)19-9-18-14/h1-7,9H,(H2,17,18,19)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011562
PNG
(CHEMBL3262581 | US9592235, Example 163 | US9855269...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccccc1F
Show InChI InChI=1S/C14H10FN3/c15-12-4-2-1-3-10(12)9-5-6-13-11(7-9)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
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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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))
BDBM50011553
PNG
(CHEMBL3262572 | US9592235, Example 167 | US9855269...)
Show SMILES COc1cccc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C15H13N3O/c1-19-12-4-2-3-10(7-12)11-5-6-14-13(8-11)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011559
PNG
(CHEMBL3262578 | US9592235, Example 269 | US9855269...)
Show SMILES Nc1ccc(F)c(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H11FN4/c15-12-3-2-9(16)6-10(12)8-1-4-13-11(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011563
PNG
(CHEMBL3262582)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(F)cc1
Show InChI InChI=1S/C14H10FN3/c15-11-4-1-9(2-5-11)10-3-6-13-12(7-10)14(16)18-8-17-13/h1-8H,(H2,16,17,18)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011558
PNG
(CHEMBL3262577 | US9592235, Example 266 | US9855269...)
Show SMILES Nc1cc(ccc1F)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H11FN4/c15-11-3-1-9(6-12(11)16)8-2-4-13-10(5-8)14(17)19-7-18-13/h1-7H,16H2,(H2,17,18,19)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50122727
PNG
(CHEMBL3623132)
Show SMILES Nc1ncc(C(=O)NC2CNC2)c2ccc(cc12)-c1cccc(F)c1
Show InChI InChI=1S/C19H17FN4O/c20-13-3-1-2-11(6-13)12-4-5-15-16(7-12)18(21)23-10-17(15)19(25)24-14-8-22-9-14/h1-7,10,14,22H,8-9H2,(H2,21,23)(H,24,25)
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Genentech

Curated by ChEMBL


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


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


BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011555
PNG
(CHEMBL3262574 | US9592235, Example 162 | US9855269...)
Show SMILES Cc1cccc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C15H13N3/c1-10-3-2-4-11(7-10)12-5-6-14-13(8-12)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011552
PNG
(CHEMBL3262571 | US9592235, Example 168 | US9855269...)
Show SMILES COc1ccccc1-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C15H13N3O/c1-19-14-5-3-2-4-11(14)10-6-7-13-12(8-10)15(16)18-9-17-13/h2-9H,1H3,(H2,16,17,18)
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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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
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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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))
BDBM50011554
PNG
(CHEMBL3262573 | US9592235, Example 166 | US9855269...)
Show SMILES COc1ccc(cc1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C15H13N3O/c1-19-12-5-2-10(3-6-12)11-4-7-14-13(8-11)15(16)18-9-17-14/h2-9H,1H3,(H2,16,17,18)
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n/an/a 689n/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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
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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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))
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))
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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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))
BDBM50011557
PNG
(CHEMBL3262576 | US9592235, Example 165 | US9855269...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H10N4/c16-8-10-1-3-11(4-2-10)12-5-6-14-13(7-12)15(17)19-9-18-14/h1-7,9H,(H2,17,18,19)
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n/an/a 1.70E+3n/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)


Article DOI: 10.1021/jm500155b
BindingDB Entry DOI: 10.7270/Q2M046ZR
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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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
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