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Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for entry = 5859   
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
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337926
PNG
((R)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
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n/an/a<5n/an/an/an/a7.325



Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1711
PNG
(CHEMBL1684067 | US8470837, 8)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@@H](O)CO)c2=O)n(C)c1=O
Show InChI InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m1/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337929
PNG
((S)-3-(2,3-dihydroxypropyl)-6-fluoro-5-(2-fluoro-4...)
Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m0/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337932
PNG
(5-(2-fluoro-4-iodophenylamino)-3-(2-hydroxyethyl)-...)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(CCO)c2=O)n(C)c1=O
Show InChI InChI=1S/C17H16FIN4O3/c1-9-14(21-12-4-3-10(19)7-11(12)18)13-15(22(2)16(9)25)20-8-23(5-6-24)17(13)26/h3-4,7-8,21,24H,5-6H2,1-2H3
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97644
PNG
(US8470837, 12)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(nc[nH]c2=O)n(C)c1=O
Show InChI InChI=1S/C15H12FIN4O2/c1-7-12(20-10-4-3-8(17)5-9(10)16)11-13(21(2)15(7)23)18-6-19-14(11)22/h3-6,20H,1-2H3,(H,18,19,22)
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337928
PNG
((R)-3-(2,3-dihydroxypropyl)-5-(4-ethynyl-2-fluorop...)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(cc2F)C#C)c(F)c1=O
Show InChI InChI=1S/C19H16F2N4O4/c1-3-10-4-5-13(12(20)6-10)23-16-14-17(24(2)19(29)15(16)21)22-9-25(18(14)28)7-11(27)8-26/h1,4-6,9,11,23,26-27H,7-8H2,2H3/t11-/m1/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337933
PNG
(3-(1,3-dihydroxypropan-2-yl)-6-fluoro-5-(2-fluoro-...)
Show SMILES Cn1c2ncn(C(CO)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
Show InChI InChI=1S/C17H15F2IN4O4/c1-23-15-12(16(27)24(7-21-15)9(5-25)6-26)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337937
PNG
(5-(2-fluoro-4-iodophenylamino)-3-(3-hydroxypropyl)...)
Show SMILES Cn1c2ncn(CCCO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C17H16FIN4O3/c1-22-14(25)8-13(21-12-4-3-10(19)7-11(12)18)15-16(22)20-9-23(17(15)26)5-2-6-24/h3-4,7-9,21,24H,2,5-6H2,1H3
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1714
PNG
(CHEMBL1684071 | US8470837, 13)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C[C@H](O)CO)c2=O)n(C)c1=O
Show InChI InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m0/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97651
PNG
(US8470837, 30)
Show SMILES Cn1c2ncn(CCO)c(=O)c2c(Nc2ccc(I)cc2F)c(Cl)c1=O
Show InChI InChI=1S/C16H13ClFIN4O3/c1-22-14-11(15(25)23(4-5-24)7-20-14)13(12(17)16(22)26)21-10-3-2-8(19)6-9(10)18/h2-3,6-7,21,24H,4-5H2,1H3
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337934
PNG
((R)-3-(2,3-dihydroxypropoxy)-6-fluoro-5-(2-fluoro-...)
Show SMILES Cn1c2ncn(OC[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
Show InChI InChI=1S/C17H15F2IN4O5/c1-23-15-12(16(27)24(7-21-15)29-6-9(26)5-25)14(13(19)17(23)28)22-11-3-2-8(20)4-10(11)18/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337920
PNG
((R)-3-(2,3-dihydroxypropyl)-5-(2-fluoro-4-iodophen...)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C17H16FIN4O4/c1-22-14(26)5-13(21-12-3-2-9(19)4-11(12)18)15-16(22)20-8-23(17(15)27)6-10(25)7-24/h2-5,8,10,21,24-25H,6-7H2,1H3/t10-/m1/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97641
PNG
(US8470837, 7)
Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)c(Cl)c1=O
Show InChI InChI=1S/C17H15ClFIN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(18)17(23)28)22-11-3-2-8(20)4-10(11)19/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m0/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97652
PNG
(US8470837, 32)
Show SMILES Cn1c2ncn(CCCO)c(=O)c2c(Nc2ccc(I)cc2F)c(Cl)c1=O
Show InChI InChI=1S/C17H15ClFIN4O3/c1-23-15-12(16(26)24(8-21-15)5-2-6-25)14(13(18)17(23)27)22-11-4-3-9(20)7-10(11)19/h3-4,7-8,22,25H,2,5-6H2,1H3
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97646
PNG
(US8470837, 16)
Show SMILES Cc1c(Nc2ccc(cc2F)C#C)c2c(ncn(C[C@@H](O)CO)c2=O)n(C)c1=O
Show InChI InChI=1S/C20H19FN4O4/c1-4-12-5-6-15(14(21)7-12)23-17-11(2)19(28)24(3)18-16(17)20(29)25(10-22-18)8-13(27)9-26/h1,5-7,10,13,23,26-27H,8-9H2,2-3H3/t13-/m1/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1722
PNG
(US8470837, 41)
Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(Br)cc2F)c(F)c1=O
Show InChI InChI=1S/C17H15BrF2N4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(20)17(23)28)22-11-3-2-8(18)4-10(11)19/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m0/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1717
PNG
(US8470837, 21)
Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(cc2F)C#N)c(F)c1=O
Show InChI InChI=1S/C18H15F2N5O4/c1-24-16-13(17(28)25(8-22-16)6-10(27)7-26)15(14(20)18(24)29)23-12-3-2-9(5-21)4-11(12)19/h2-4,8,10,23,26-27H,6-7H2,1H3/t10-/m0/s1
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1716
PNG
(CHEMBL1684072 | US8470837, 17)
Show SMILES Cn1c2ncn(CCO)c(=O)c2c(Nc2ccc(I)cc2F)c(F)c1=O
Show InChI InChI=1S/C16H13F2IN4O3/c1-22-14-11(15(25)23(4-5-24)7-20-14)13(12(18)16(22)26)21-10-3-2-8(19)6-9(10)17/h2-3,6-7,21,24H,4-5H2,1H3
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97662
PNG
(US8470837, 4)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C)c2=O)n(C)c1=O
Show InChI InChI=1S/C16H14FIN4O2/c1-8-13(20-11-5-4-9(18)6-10(11)17)12-14(22(3)15(8)23)19-7-21(2)16(12)24/h4-7,20H,1-3H3
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1665
PNG
(CHEMBL1684061 | US8470837, 2)
Show SMILES Cn1c2ncn(CCO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C16H14FIN4O3/c1-21-13(24)7-12(20-11-3-2-9(18)6-10(11)17)14-15(21)19-8-22(4-5-23)16(14)25/h2-3,6-8,20,23H,4-5H2,1H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1710
PNG
(CHEMBL1684064 | US8470837, 5)
Show SMILES Cn1c2ncn(C[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C17H16FIN4O4/c1-22-14(26)5-13(21-12-3-2-9(19)4-11(12)18)15-16(22)20-8-23(17(15)27)6-10(25)7-24/h2-5,8,10,21,24-25H,6-7H2,1H3/t10-/m0/s1
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97661
PNG
(US8470837, 44)
Show SMILES Cc1c(Nc2ccc(cc2F)C#C)c2c(ncn(C[C@H](O)CO)c2=O)n(C)c1=O
Show InChI InChI=1S/C20H19FN4O4/c1-4-12-5-6-15(14(21)7-12)23-17-11(2)19(28)24(3)18-16(17)20(29)25(10-22-18)8-13(27)9-26/h1,5-7,10,13,23,26-27H,8-9H2,2-3H3/t13-/m0/s1
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n/an/a 10n/an/an/an/a7.325



Takeda Pharmaceutical Company Limted

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Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97660
PNG
(US8470837, 43)
Show SMILES Cc1c(Nc2ccc(I)cc2F)c2c(ncn(C(CO)CO)c2=O)n(C)c1=O
Show InChI InChI=1S/C18H18FIN4O4/c1-9-15(22-13-4-3-10(20)5-12(13)19)14-16(23(2)17(9)27)21-8-24(18(14)28)11(6-25)7-26/h3-5,8,11,22,25-26H,6-7H2,1-2H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97658
PNG
(US8470837, 40)
Show SMILES CC(O)Cn1cnc2n(C)c(=O)c(Cl)c(Nc3ccc(I)cc3F)c2c1=O
Show InChI InChI=1S/C17H15ClFIN4O3/c1-8(25)6-24-7-21-15-12(16(24)26)14(13(18)17(27)23(15)2)22-11-4-3-9(20)5-10(11)19/h3-5,7-8,22,25H,6H2,1-2H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97654
PNG
(US8470837, 34)
Show SMILES Cn1c2ncn(CCCO)c(=O)c2c(Nc2ccc(Br)cc2F)c(Cl)c1=O
Show InChI InChI=1S/C17H15BrClFN4O3/c1-23-15-12(16(26)24(8-21-15)5-2-6-25)14(13(19)17(23)27)22-11-4-3-9(18)7-10(11)20/h3-4,7-8,22,25H,2,5-6H2,1H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97650
PNG
(US8470837, 29)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(Br)cc2F)c(Cl)c1=O
Show InChI InChI=1S/C17H15BrClFN4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(19)17(23)28)22-11-3-2-8(18)4-10(11)20/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97649
PNG
(US8470837, 27)
Show SMILES Cn1c2ncn(OC[C@H](O)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C17H16FIN4O5/c1-22-14(26)5-13(21-12-3-2-9(19)4-11(12)18)15-16(22)20-8-23(17(15)27)28-7-10(25)6-24/h2-5,8,10,21,24-25H,6-7H2,1H3/t10-/m1/s1
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97648
PNG
(US8470837, 26)
Show SMILES Cn1c2ncn(OCCO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C16H14FIN4O4/c1-21-13(24)7-12(20-11-3-2-9(18)6-10(11)17)14-15(21)19-8-22(16(14)25)26-5-4-23/h2-3,6-8,20,23H,4-5H2,1H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97647
PNG
(US8470837, 24)
Show SMILES Cn1c2ncn(C(CO)CO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C17H16FIN4O4/c1-22-14(26)5-13(21-12-3-2-9(19)4-11(12)18)15-16(22)20-8-23(17(15)27)10(6-24)7-25/h2-5,8,10,21,24-25H,6-7H2,1H3
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US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337935
PNG
(5-(2-fluoro-4-iodophenylamino)-3,8-dimethylpyrido[...)
Show SMILES Cn1cnc2n(C)c(=O)cc(Nc3ccc(I)cc3F)c2c1=O
Show InChI InChI=1S/C15H12FIN4O2/c1-20-7-18-14-13(15(20)23)11(6-12(22)21(14)2)19-10-4-3-8(17)5-9(10)16/h3-7,19H,1-2H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97645
PNG
(US8470837, 15)
Show SMILES Cc1c(Nc2ccccc2F)c2c(ncn(CCO)c2=O)n(C)c1=O
Show InChI InChI=1S/C17H17FN4O3/c1-10-14(20-12-6-4-3-5-11(12)18)13-15(21(2)16(10)24)19-9-22(7-8-23)17(13)25/h3-6,9,20,23H,7-8H2,1-2H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1713
PNG
(US8470837, 9)
Show SMILES Cc1c(Nc2ccc(Br)cc2F)c2c(ncn(C[C@H](O)CO)c2=O)n(C)c1=O
Show InChI InChI=1S/C18H18BrFN4O4/c1-9-15(22-13-4-3-10(19)5-12(13)20)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m0/s1
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97653
PNG
(US8470837, 33)
Show SMILES Cn1c2ncn(CCCO)c(=O)c2c(Nc2ccc(Br)cc2F)cc1=O
Show InChI InChI=1S/C17H16BrFN4O3/c1-22-14(25)8-13(21-12-4-3-10(18)7-11(12)19)15-16(22)20-9-23(17(15)26)5-2-6-24/h3-4,7-9,21,24H,2,5-6H2,1H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97659
PNG
(US8470837, 42)
Show SMILES Cn1c2ncn(Cc3ccccc3)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C21H16FIN4O2/c1-26-18(28)10-17(25-16-8-7-14(23)9-15(16)22)19-20(26)24-12-27(21(19)29)11-13-5-3-2-4-6-13/h2-10,12,25H,11H2,1H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97655
PNG
(US8470837, 35)
Show SMILES Cn1c2ncn(CCCO)c(=O)c2c(Nc2ccc(Br)cc2Cl)cc1=O
Show InChI InChI=1S/C17H16BrClN4O3/c1-22-14(25)8-13(21-12-4-3-10(18)7-11(12)19)15-16(22)20-9-23(17(15)26)5-2-6-24/h3-4,7-9,21,24H,2,5-6H2,1H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337922
PNG
((S)-3-(2,4-dihydroxybutyl)-5-(2-fluoro-4-iodopheny...)
Show SMILES Cn1c2ncn(C[C@@H](O)CCO)c(=O)c2c(Nc2ccc(I)cc2F)cc1=O
Show InChI InChI=1S/C18H18FIN4O4/c1-23-15(27)7-14(22-13-3-2-10(20)6-12(13)19)16-17(23)21-9-24(18(16)28)8-11(26)4-5-25/h2-3,6-7,9,11,22,25-26H,4-5,8H2,1H3/t11-/m0/s1
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97640
PNG
(US8470837, 3)
Show SMILES COC(=O)Cn1cnc2n(C)c(=O)cc(Nc3ccc(I)cc3F)c2c1=O
Show InChI InChI=1S/C17H14FIN4O4/c1-22-13(24)6-12(21-11-4-3-9(19)5-10(11)18)15-16(22)20-8-23(17(15)26)7-14(25)27-2/h3-6,8,21H,7H2,1-2H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97657
PNG
(US8470837, 38)
Show SMILES CC(O)Cn1cnc2n(C)c(=O)cc(Nc3ccc(I)cc3F)c2c1=O
Show InChI InChI=1S/C17H16FIN4O3/c1-9(24)7-23-8-20-16-15(17(23)26)13(6-14(25)22(16)2)21-12-4-3-10(19)5-11(12)18/h3-6,8-9,21,24H,7H2,1-2H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337923
PNG
(3-(2-(dimethylamino)ethyl)-5-(2-fluoro-4-iodopheny...)
Show SMILES CN(C)CCn1cnc2n(C)c(=O)cc(Nc3ccc(I)cc3F)c2c1=O
Show InChI InChI=1S/C18H19FIN5O2/c1-23(2)6-7-25-10-21-17-16(18(25)27)14(9-15(26)24(17)3)22-13-5-4-11(20)8-12(13)19/h4-5,8-10,22H,6-7H2,1-3H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97642
PNG
(US8470837, 10)
Show SMILES Cc1c(Nc2ccc(Br)cc2F)c2c(ncn(C[C@@H](O)CO)c2=O)n(C)c1=O
Show InChI InChI=1S/C18H18BrFN4O4/c1-9-15(22-13-4-3-10(19)5-12(13)20)14-16(23(2)17(9)27)21-8-24(18(14)28)6-11(26)7-25/h3-5,8,11,22,25-26H,6-7H2,1-2H3/t11-/m1/s1
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97656
PNG
(US8470837, 36)
Show SMILES Cn1c2ncn(CCCO)c(=O)c2c(Nc2ccc(Br)cc2Cl)c(Cl)c1=O
Show InChI InChI=1S/C17H15BrCl2N4O3/c1-23-15-12(16(26)24(8-21-15)5-2-6-25)14(13(20)17(23)27)22-11-4-3-9(18)7-10(11)19/h3-4,7-8,22,25H,2,5-6H2,1H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM97643
PNG
(US8470837, 11)
Show SMILES Cc1c(Nc2ccc(Br)cc2F)c2c(ncn(CCO)c2=O)n(C)c1=O
Show InChI InChI=1S/C17H16BrFN4O3/c1-9-14(21-12-4-3-10(18)7-11(12)19)13-15(22(2)16(9)25)20-8-23(5-6-24)17(13)26/h3-4,7-8,21,24H,5-6H2,1-2H3
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM50337927
PNG
((R)-5-(4-bromo-2-fluorophenylamino)-3-(2,3-dihydro...)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(Br)cc2F)c(F)c1=O
Show InChI InChI=1S/C17H15BrF2N4O4/c1-23-15-12(16(27)24(7-21-15)5-9(26)6-25)14(13(20)17(23)28)22-11-3-2-8(18)4-10(11)19/h2-4,7,9,22,25-26H,5-6H2,1H3/t9-/m1/s1
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Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair
Dual specificity mitogen-activated protein kinase kinase 1


(Homo sapiens (human))
BDBM1719
PNG
(US8470837, 23)
Show SMILES Cn1c2ncn(C[C@@H](O)CO)c(=O)c2c(Nc2ccc(NCS(C)(=O)=O)cc2F)c(F)c1=O
Show InChI InChI=1S/C19H21F2N5O6S/c1-25-17-14(18(29)26(8-22-17)6-11(28)7-27)16(15(21)19(25)30)24-13-4-3-10(5-12(13)20)23-9-33(2,31)32/h3-5,8,11,23-24,27-28H,6-7,9H2,1-2H3/t11-/m1/s1
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n/an/a>16n/an/an/an/a7.325



Takeda Pharmaceutical Company Limted

US Patent


Assay Description
Reaction product is determined quantitatively by fluorescent polarization using progressive IMAP beads from Molecular Devices.


US Patent US8470837 (2013)


BindingDB Entry DOI: 10.7270/Q2N29VJ4
More data for this
Ligand-Target Pair