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Compile Data Set for Download or QSAR

Marvin 2D Structure

Wt: 240.2
BDBM50011536
Wt: 221.2
BDBM50011551
Wt: 239.2
BDBM50011561
Purchase
Wt: 235.2
BDBM50011555
Wt: 239.2
BDBM50011562
Wt: 222.2
BDBM299411
Wt: 236.2
BDBM299412
Wt: 228.2
BDBM299437
Wt: 229.2
BDBM299482
Wt: 237.2
BDBM299537
Wt: 238.2
BDBM299546
Wt: 239.2
BDBM299569
Wt: 238.2
BDBM299575
Wt: 239.2
BDBM299576
Wt: 237.2
BDBM299492
Displayed 1 to 15 (of 214 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 21 hits in this display   
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
map4k4


(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



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
map4k4


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



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
map4k4


(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



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011536
PNG
(CHEMBL3262587 | US9592235, Example 184)
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 17n/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
map4k4


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



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
map4k4


(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



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011561
PNG
(CHEMBL3262580 | US9592235, Example 174)
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 58n/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))
BDBM50011561
PNG
(CHEMBL3262580 | US9592235, Example 174)
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 58n/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


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


Article DOI: 10.1021/acsmedchemlett.5b00174
BindingDB Entry DOI: 10.7270/Q2M32XJB
More data for this
Ligand-Target Pair
map4k4


(Homo sapiens (Human))
BDBM50011551
PNG
(CHEMBL3262570 | US9592235, Example 268)
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



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011551
PNG
(CHEMBL3262570 | US9592235, Example 268)
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 121n/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
map4k4


(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



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
map4k4


(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



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011562
PNG
(CHEMBL3262581 | US9592235, Example 163)
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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n/an/a 297n/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
map4k4


(Homo sapiens (Human))
BDBM50011562
PNG
(CHEMBL3262581 | US9592235, Example 163)
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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n/an/a 341n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
map4k4


(Homo sapiens (Human))
BDBM50011555
PNG
(CHEMBL3262574 | US9592235, Example 162)
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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n/an/a 415n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
Mitogen-activated protein kinase kinase kinase kinase 4


(Homo sapiens (Human))
BDBM50011555
PNG
(CHEMBL3262574 | US9592235, Example 162)
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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n/an/a 423n/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
map4k4


(Homo sapiens (Human))
BDBM299437
PNG
(6-(1-piperidyl) pyrido[3,2-d] pyrimidin- 4-amine |...)
Show SMILES Nc1ncnc2ccc(cc12)N1CCCCC1
Show InChI InChI=1S/C13H16N4/c14-13-11-8-10(17-6-2-1-3-7-17)4-5-12(11)15-9-16-13/h4-5,8-9H,1-3,6-7H2,(H2,14,15,16)
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n/an/a 445n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
map4k4


(Homo sapiens (Human))
BDBM299482
PNG
(N6-cyclopentyl- pyrido[3,2-d] pyrimidine- 4,6-diam...)
Show SMILES Nc1ncnc2ccc(NC3CCCC3)nc12
Show InChI InChI=1S/C12H15N5/c13-12-11-9(14-7-15-12)5-6-10(17-11)16-8-3-1-2-4-8/h5-8H,1-4H2,(H,16,17)(H2,13,14,15)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
map4k4


(Homo sapiens (Human))
BDBM299576
PNG
(6-(3-pyridyloxy) pyrido[3,2-d] pyrimidin- 4-amine ...)
Show SMILES Nc1ncnc2ccc(Oc3cccnc3)nc12
Show InChI InChI=1S/C12H9N5O/c13-12-11-9(15-7-16-12)3-4-10(17-11)18-8-2-1-5-14-6-8/h1-7H,(H2,13,15,16)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
map4k4


(Homo sapiens (Human))
BDBM299575
PNG
(6-phenoxy- pyrido[3,2-d] pyrimidin-4- amine | US95...)
Show SMILES Nc1ncnc2ccc(Oc3ccccc3)nc12
Show InChI InChI=1S/C13H10N4O/c14-13-12-10(15-8-16-13)6-7-11(17-12)18-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16)
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n/an/a 1.60E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair
map4k4


(Homo sapiens (Human))
BDBM299569
PNG
(6-(4-pyridyloxy) pyrido[3,2-d] pyrimidin-4- amine ...)
Show SMILES Nc1ncnc2ccc(Oc3ccncc3)nc12
Show InChI InChI=1S/C12H9N5O/c13-12-11-9(15-7-16-12)1-2-10(17-11)18-8-3-5-14-6-4-8/h1-7H,(H2,13,15,16)
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n/an/a 2.90E+3n/an/an/an/an/an/a



Genentech, Inc.

US Patent


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


US Patent US9592235 (2017)

More data for this
Ligand-Target Pair