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Compile Data Set for Download or QSAR

Found 345 hits Enz. Inhib. hit(s) with all data for entry = 2383   
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))
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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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))
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))
BDBM299544
PNG
(N-[3-(4-amino- pyrido[3,2-d] pyrimidin- 6-yl)-5-fl...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cc(F)cc(NC(=O)CN2CCCC2)c1
Show InChI InChI=1S/C19H19FN6O/c20-13-7-12(15-3-4-16-18(25-15)19(21)23-11-22-16)8-14(9-13)24-17(27)10-26-5-1-2-6-26/h3-4,7-9,11H,1-2,5-6,10H2,(H,24,27)(H2,21,22,23)
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n/an/a 7.25n/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))
BDBM364098
PNG
(6-[3-fluoro-5-(4-methyl-1H-pyrazol-3-yl)phenyl]pyr...)
Show SMILES Cc1c[nH]nc1-c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C17H13FN6/c1-9-7-22-24-15(9)11-4-10(5-12(18)6-11)13-2-3-14-16(23-13)17(19)21-8-20-14/h2-8H,1H3,(H,22,24)(H2,19,20,21)
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n/an/a 10.1n/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))
BDBM299546
PNG
(3-(4-aminopyrido [3,2-d]pyrimidin- 6-yl)phenol | U...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cccc(O)c1
Show InChI InChI=1S/C13H10N4O/c14-13-12-11(15-7-16-13)5-4-10(17-12)8-2-1-3-9(18)6-8/h1-7,18H,(H2,14,15,16)
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n/an/a 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))
BDBM299256
PNG
(6-(2-fluoro-4-pyridyl)pyrido[3,2-d]pyrimidin-4-ami...)
Show SMILES Nc1ncnc2ccc(nc12)-c1ccnc(F)c1
Show InChI InChI=1S/C12H8FN5/c13-10-5-7(3-4-15-10)8-1-2-9-11(18-8)12(14)17-6-16-9/h1-6H,(H2,14,16,17)
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n/an/a 11.5n/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))
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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n/an/a 11.8n/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))
BDBM225896
PNG
(MAP15 | US9592235, Example 272 | US9855269, Compou...)
Show SMILES Cc1c[nH]nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
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n/an/a 12.1n/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))
BDBM299492
PNG
(2-(4-amino- quinazolin- 6-yl)phenyl | US9592235, E...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(O)c1
Show InChI InChI=1S/C14H11N3O/c15-14-12-7-10(4-5-13(12)16-8-17-14)9-2-1-3-11(18)6-9/h1-8,18H,(H2,15,16,17)
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n/an/a 14.7n/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))
BDBM299462
PNG
(6-(amino-5-fluoro- phenyl)pyrido [3,2-d]pyrimidin-...)
Show SMILES Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C13H10FN5/c14-8-3-7(4-9(15)5-8)10-1-2-11-12(19-10)13(16)18-6-17-11/h1-6H,15H2,(H2,16,17,18)
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n/an/a 16.9n/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))
BDBM299383
PNG
(6-(3-chloro- phenyl)pyrido [3,2-d] pyrimidin-4- am...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cccc(Cl)c1
Show InChI InChI=1S/C13H9ClN4/c14-9-3-1-2-8(6-9)10-4-5-11-12(18-10)13(15)17-7-16-11/h1-7H,(H2,15,16,17)
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n/an/a 19.7n/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))
BDBM364053
PNG
(6-[3-(2-pyridyloxy)phenyl]pyrido[3,2-d]pyrimidin-4...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cccc(Oc2ccccn2)c1
Show InChI InChI=1S/C18H13N5O/c19-18-17-15(21-11-22-18)8-7-14(23-17)12-4-3-5-13(10-12)24-16-6-1-2-9-20-16/h1-11H,(H2,19,21,22)
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n/an/a 25.7n/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))
BDBM363929
PNG
(6-[3-(1,4-dimethylpyrazol-3-yl)-1-piperidyl]pyrido...)
Show SMILES Cc1cn(C)nc1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C17H21N7/c1-11-8-23(2)22-15(11)12-4-3-7-24(9-12)14-6-5-13-16(21-14)17(18)20-10-19-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,18,19,20)
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n/an/a 32.1n/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))
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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n/an/a 45.9n/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))
BDBM299537
PNG
(6-(2-methyl-4- pyridyl)pyrido [3,2-d]pyrimidin- 4-...)
Show SMILES Cc1cc(ccn1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C13H11N5/c1-8-6-9(4-5-15-8)10-2-3-11-12(18-10)13(14)17-7-16-11/h2-7H,1H3,(H2,14,16,17)
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n/an/a 50.5n/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))
BDBM299398
PNG
(N-[3-(4-amino- quinazolin-6-yl)- 5-fluoro-phenyl]-...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cc(F)cc(NC(=O)CN2CCCC2)c1
Show InChI InChI=1S/C20H20FN5O/c21-15-7-14(13-3-4-18-17(9-13)20(22)24-12-23-18)8-16(10-15)25-19(27)11-26-5-1-2-6-26/h3-4,7-10,12H,1-2,5-6,11H2,(H,25,27)(H2,22,23,24)
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n/an/a 58.6n/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))
BDBM225898
PNG
(MAP16 | US9592235, Example 248 | US9855269, Compou...)
Show SMILES Nc1ncnc2ccc(nc12)N1CCC(Cc2ccccn2)C1
Show InChI InChI=1S/C17H18N6/c18-17-16-14(20-11-21-17)4-5-15(22-16)23-8-6-12(10-23)9-13-3-1-2-7-19-13/h1-5,7,11-12H,6,8-10H2,(H2,18,20,21)
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n/an/a 65.6n/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))
BDBM364073
PNG
(6-[3-fluoro-5-[(2-pyrrolidin-1-ylethylamino)methyl...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNCCN2CCCC2)c1
Show InChI InChI=1S/C20H23FN6/c21-16-10-14(12-23-5-8-27-6-1-2-7-27)9-15(11-16)17-3-4-18-19(26-17)20(22)25-13-24-18/h3-4,9-11,13,23H,1-2,5-8,12H2,(H2,22,24,25)
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n/an/a 66.9n/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))
BDBM299436
PNG
(N6-[2-(4-fluoro- phenyl)ethyl] pyrido[3,2-d] pyrim...)
Show SMILES Nc1ncnc2ccc(NCCc3ccc(F)cc3)nc12
Show InChI InChI=1S/C15H14FN5/c16-11-3-1-10(2-4-11)7-8-18-13-6-5-12-14(21-13)15(17)20-9-19-12/h1-6,9H,7-8H2,(H,18,21)(H2,17,19,20)
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n/an/a 70.1n/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))
BDBM299617
PNG
(6-[3-(difluoro- methoxy)phenyl] pyrido[3,2-d] pyri...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cccc(OC(F)F)c1
Show InChI InChI=1S/C14H10F2N4O/c15-14(16)21-9-3-1-2-8(6-9)10-4-5-11-12(20-10)13(17)19-7-18-11/h1-7,14H,(H2,17,18,19)
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n/an/a 71.8n/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))
BDBM299523
PNG
(6-[3-(2-pyridyl)-1- piperidyl]pyrido [3,2-d]pyrimi...)
Show SMILES Nc1ncnc2ccc(nc12)N1CCCC(C1)c1ccccn1
Show InChI InChI=1S/C17H18N6/c18-17-16-14(20-11-21-17)6-7-15(22-16)23-9-3-4-12(10-23)13-5-1-2-8-19-13/h1-2,5-8,11-12H,3-4,9-10H2,(H2,18,20,21)
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n/an/a 76.4n/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))
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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n/an/a 81.2n/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))
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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n/an/a 84n/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))
BDBM299592
PNG
(N6-[(3-chloro- phenyl)methyl] pyrido[3,2-d] pyrimi...)
Show SMILES Nc1ncnc2ccc(NCc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C14H12ClN5/c15-10-3-1-2-9(6-10)7-17-12-5-4-11-13(20-12)14(16)19-8-18-11/h1-6,8H,7H2,(H,17,20)(H2,16,18,19)
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n/an/a 85.6n/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))
BDBM225895
PNG
(MAP14 | US9592235, Example 192 | US9855269, Compou...)
Show SMILES CN(C)CCC(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C19H20FN5O/c1-25(2)6-5-18(26)24-15-8-13(7-14(20)10-15)12-3-4-17-16(9-12)19(21)23-11-22-17/h3-4,7-11H,5-6H2,1-2H3,(H,24,26)(H2,21,22,23)
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n/an/a 88.4n/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))
BDBM364028
PNG
(6-[3-fluoro-5-(2-pyrrolidin-1-ylethylamino)phenyl]...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cc(F)cc(NCCN2CCCC2)c1
Show InChI InChI=1S/C19H21FN6/c20-14-9-13(10-15(11-14)22-5-8-26-6-1-2-7-26)16-3-4-17-18(25-16)19(21)24-12-23-17/h3-4,9-12,22H,1-2,5-8H2,(H2,21,23,24)
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n/an/a 88.8n/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))
BDBM299384
PNG
(6-(5-chloro-2- methyl-phenyl) quinazolin- 4-amine ...)
Show SMILES Cc1ccc(Cl)cc1-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C15H12ClN3/c1-9-2-4-11(16)7-12(9)10-3-5-14-13(6-10)15(17)19-8-18-14/h2-8H,1H3,(H2,17,18,19)
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n/an/a 90.5n/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))
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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n/an/a 92.7n/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))
BDBM363930
PNG
(6-[3-(2,4-dimethylpyrazol-3-yl)-1-piperidyl]pyrido...)
Show SMILES Cc1cnn(C)c1C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C17H21N7/c1-11-8-21-23(2)16(11)12-4-3-7-24(9-12)14-6-5-13-15(22-14)17(18)20-10-19-13/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H2,18,19,20)
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n/an/a 93.9n/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))
BDBM364046
PNG
(N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro...)
Show SMILES CN(C)CCCNc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C18H21FN6/c1-25(2)7-3-6-21-14-9-12(8-13(19)10-14)15-4-5-16-17(24-15)18(20)23-11-22-16/h4-5,8-11,21H,3,6-7H2,1-2H3,(H2,20,22,23)
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n/an/a 95.5n/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))
BDBM364071
PNG
(N-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluor...)
Show SMILES CN(C)CCNCc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C18H21FN6/c1-25(2)6-5-21-10-12-7-13(9-14(19)8-12)15-3-4-16-17(24-15)18(20)23-11-22-16/h3-4,7-9,11,21H,5-6,10H2,1-2H3,(H2,20,22,23)
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n/an/a 95.5n/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))
BDBM299619
PNG
(6-(3-methoxy- phenyl) pyrido[3,2-d] pyrimidin- 4-a...)
Show SMILES COc1cccc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C14H12N4O/c1-19-10-4-2-3-9(7-10)11-5-6-12-13(18-11)14(15)17-8-16-12/h2-8H,1H3,(H2,15,16,17)
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n/an/a 99.7n/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))
BDBM299490
PNG
(N-[3-(4-amino- pyrido[3,2-d] pyrimidin-6-yl)- 5-fl...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cc(F)cc(NC(=O)CC2CCCC2)c1
Show InChI InChI=1S/C20H20FN5O/c21-14-8-13(16-5-6-17-19(26-16)20(22)24-11-23-17)9-15(10-14)25-18(27)7-12-3-1-2-4-12/h5-6,8-12H,1-4,7H2,(H,25,27)(H2,22,23,24)
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n/an/a 107n/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))
BDBM364049
PNG
(6-[3-[(cyclopropylamino)methyl]-5-fluoro-phenyl]py...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNC2CC2)c1
Show InChI InChI=1S/C17H16FN5/c18-12-6-10(8-20-13-1-2-13)5-11(7-12)14-3-4-15-16(23-14)17(19)22-9-21-15/h3-7,9,13,20H,1-2,8H2,(H2,19,21,22)
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n/an/a 110n/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))
BDBM364079
PNG
(6-[3-fluoro-5-[[(1-methylazetidin-3-yl)amino]methy...)
Show SMILES CN1CC(C1)NCc1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C18H19FN6/c1-25-8-14(9-25)21-7-11-4-12(6-13(19)5-11)15-2-3-16-17(24-15)18(20)23-10-22-16/h2-6,10,14,21H,7-9H2,1H3,(H2,20,22,23)
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n/an/a 124n/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))
BDBM364050
PNG
(2-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluor...)
Show SMILES CN(CCO)c1cc(F)cc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C16H16FN5O/c1-22(4-5-23)12-7-10(6-11(17)8-12)13-2-3-14-15(21-13)16(18)20-9-19-14/h2-3,6-9,23H,4-5H2,1H3,(H2,18,19,20)
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n/an/a 131n/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))
BDBM299488
PNG
(1-[3-(4-amino- quinazolin- 6-yl)phenyl]-3- cyclope...)
Show SMILES Nc1ncnc2ccc(cc12)-c1cccc(NC(=O)NC2CCCC2)c1
Show InChI InChI=1S/C20H21N5O/c21-19-17-11-14(8-9-18(17)22-12-23-19)13-4-3-7-16(10-13)25-20(26)24-15-5-1-2-6-15/h3-4,7-12,15H,1-2,5-6H2,(H2,21,22,23)(H2,24,25,26)
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n/an/a 136n/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))
BDBM364037
PNG
(N-[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluoro...)
Show SMILES CN1CCN(CCS(=O)(=O)Nc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)CC1
Show InChI InChI=1S/C20H24FN7O2S/c1-27-4-6-28(7-5-27)8-9-31(29,30)26-16-11-14(10-15(21)12-16)17-2-3-18-19(25-17)20(22)24-13-23-18/h2-3,10-13,26H,4-9H2,1H3,(H2,22,23,24)
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n/an/a 138n/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))
BDBM364056
PNG
(6-[3-[(cyclobutylamino)methyl]-5-fluoro-phenyl]pyr...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cc(F)cc(CNC2CCC2)c1
Show InChI InChI=1S/C18H18FN5/c19-13-7-11(9-21-14-2-1-3-14)6-12(8-13)15-4-5-16-17(24-15)18(20)23-10-22-16/h4-8,10,14,21H,1-3,9H2,(H2,20,22,23)
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n/an/a 140n/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))
BDBM299582
PNG
(6-(3-chloro- phenoxy) pyrido[3,2-d] pyrimidin- 4-a...)
Show SMILES Nc1ncnc2ccc(Oc3cccc(Cl)c3)nc12
Show InChI InChI=1S/C13H9ClN4O/c14-8-2-1-3-9(6-8)19-11-5-4-10-12(18-11)13(15)17-7-16-10/h1-7H,(H2,15,16,17)
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n/an/a 145n/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))
BDBM299485
PNG
(6-[3-(6-methyl-2- pyridyl)-1- piperidyl]pyrido [3,...)
Show SMILES Cc1cccc(n1)C1CCCN(C1)c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C18H20N6/c1-12-4-2-6-14(22-12)13-5-3-9-24(10-13)16-8-7-15-17(23-16)18(19)21-11-20-15/h2,4,6-8,11,13H,3,5,9-10H2,1H3,(H2,19,20,21)
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n/an/a 145n/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))
BDBM299412
PNG
(6-(2-methyl- 4-pyridyl) quinazolin- 4-amine | US95...)
Show SMILES Cc1cc(ccn1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C14H12N4/c1-9-6-11(4-5-16-9)10-2-3-13-12(7-10)14(15)18-8-17-13/h2-8H,1H3,(H2,15,17,18)
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n/an/a 148n/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))
BDBM299494
PNG
(6-(3-ethoxy- phenyl) quinazolin- 4-amine | US95922...)
Show SMILES CCOc1cccc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C16H15N3O/c1-2-20-13-5-3-4-11(8-13)12-6-7-15-14(9-12)16(17)19-10-18-15/h3-10H,2H2,1H3,(H2,17,18,19)
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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))
BDBM299497
PNG
(N6-benzylpyrido [3,2-d] pyrimidine-4,6- diamine | ...)
Show SMILES Nc1ncnc2ccc(NCc3ccccc3)nc12
Show InChI InChI=1S/C14H13N5/c15-14-13-11(17-9-18-14)6-7-12(19-13)16-8-10-4-2-1-3-5-10/h1-7,9H,8H2,(H,16,19)(H2,15,17,18)
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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))
BDBM299397
PNG
(1-acetyl-N-[3- (4-amino- quinazolin- 6-yl)-5-fluor...)
Show SMILES CC(=O)N1CC(C1)C(=O)Nc1cc(F)cc(c1)-c1ccc2ncnc(N)c2c1
Show InChI InChI=1S/C20H18FN5O2/c1-11(27)26-8-14(9-26)20(28)25-16-5-13(4-15(21)7-16)12-2-3-18-17(6-12)19(22)24-10-23-18/h2-7,10,14H,8-9H2,1H3,(H,25,28)(H2,22,23,24)
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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))
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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US Patent
n/an/a 174n/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))
BDBM364088
PNG
(6-[3-[(2-pyrrolidin-1-ylethylamino)methyl]phenyl]p...)
Show SMILES Nc1ncnc2ccc(nc12)-c1cccc(CNCCN2CCCC2)c1
Show InChI InChI=1S/C20H24N6/c21-20-19-18(23-14-24-20)7-6-17(25-19)16-5-3-4-15(12-16)13-22-8-11-26-9-1-2-10-26/h3-7,12,14,22H,1-2,8-11,13H2,(H2,21,23,24)
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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))
BDBM299618
PNG
(6-(3-isoprapoxy- phenyl) pyrido[3,2-d] pyrimidin-4...)
Show SMILES CC(C)Oc1cccc(c1)-c1ccc2ncnc(N)c2n1
Show InChI InChI=1S/C16H16N4O/c1-10(2)21-12-5-3-4-11(8-12)13-6-7-14-15(20-13)16(17)19-9-18-14/h3-10H,1-2H3,(H2,17,18,19)
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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))
BDBM363961
PNG
(1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluor...)
Show SMILES NC(=O)C1CN(Cc2cc(F)cc(c2)-c2ccc3ncnc(N)c3n2)C1
Show InChI InChI=1S/C18H17FN6O/c19-13-4-10(6-25-7-12(8-25)18(21)26)3-11(5-13)14-1-2-15-16(24-14)17(20)23-9-22-15/h1-5,9,12H,6-8H2,(H2,21,26)(H2,20,22,23)
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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))
BDBM299411
PNG
(6-(4-pyridyl) quinazolin- 4-amine | US9592235, Exa...)
Show SMILES Nc1ncnc2ccc(cc12)-c1ccncc1
Show InChI InChI=1S/C13H10N4/c14-13-11-7-10(9-3-5-15-6-4-9)1-2-12(11)16-8-17-13/h1-8H,(H2,14,16,17)
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n/an/a 190n/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
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