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Patent code US9556181

Compile Data Set for Download or QSAR
Found 21 hits of Enzyme Inhibition Constant Data   
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
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227732
PNG
(3-bromo-n-(6-isopropoxy-1h-indazol-5-yl)-1h-pyrazo...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C15H14BrN7O/c1-7(2)24-11-4-9-8(5-19-21-9)3-10(11)20-14-12-13(16)22-23-15(12)18-6-17-14/h3-7H,1-2H3,(H,19,21)(H2,17,18,20,22,23)
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n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227719
PNG
(3-bromo-n-(6-methoxy-1h-indazol-5-yl)-1h-pyrazolo[...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C13H10BrN7O/c1-22-9-3-7-6(4-17-19-7)2-8(9)18-12-10-11(14)20-21-13(10)16-5-15-12/h2-5H,1H3,(H,17,19)(H2,15,16,18,20,21)
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n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227728
PNG
(3-(4-fluorophenyl)-n-(6-methoxy-1h-indazol-5-yl)-1...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(-c3ccc(F)cc3)c12
Show InChI InChI=1S/C19H14FN7O/c1-28-15-7-13-11(8-23-25-13)6-14(15)24-18-16-17(10-2-4-12(20)5-3-10)26-27-19(16)22-9-21-18/h2-9H,1H3,(H,23,25)(H2,21,22,24,26,27)
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n/an/a 2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227719
PNG
(3-bromo-n-(6-methoxy-1h-indazol-5-yl)-1h-pyrazolo[...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C13H10BrN7O/c1-22-9-3-7-6(4-17-19-7)2-8(9)18-12-10-11(14)20-21-13(10)16-5-15-12/h2-5H,1H3,(H,17,19)(H2,15,16,18,20,21)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227719
PNG
(3-bromo-n-(6-methoxy-1h-indazol-5-yl)-1h-pyrazolo[...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C13H10BrN7O/c1-22-9-3-7-6(4-17-19-7)2-8(9)18-12-10-11(14)20-21-13(10)16-5-15-12/h2-5H,1H3,(H,17,19)(H2,15,16,18,20,21)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227719
PNG
(3-bromo-n-(6-methoxy-1h-indazol-5-yl)-1h-pyrazolo[...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C13H10BrN7O/c1-22-9-3-7-6(4-17-19-7)2-8(9)18-12-10-11(14)20-21-13(10)16-5-15-12/h2-5H,1H3,(H,17,19)(H2,15,16,18,20,21)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227720
PNG
(3-bromo-n-(6-fluoro-1h-indazol-5-yl)-1h-pyrazolo[3...)
Show SMILES Fc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C12H7BrFN7/c13-10-9-11(15-4-16-12(9)21-20-10)18-8-1-5-3-17-19-7(5)2-6(8)14/h1-4H,(H,17,19)(H2,15,16,18,20,21)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227721
PNG
(3-bromo-n-(1h-indazol-5-yl)-1h-pyrazolo[3,4-d]pyri...)
Show SMILES Brc1n[nH]c2ncnc(Nc3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C12H8BrN7/c13-10-9-11(14-5-15-12(9)20-19-10)17-7-1-2-8-6(3-7)4-16-18-8/h1-5H,(H,16,18)(H2,14,15,17,19,20)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227729
PNG
(US9556181, 14 | n-(6-fluoro-1h-indazol-5-yl)-3-(4-...)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2ncnc(Nc3cc4cn[nH]c4cc3F)c12
Show InChI InChI=1S/C18H11F2N7/c19-11-3-1-9(2-4-11)16-15-17(21-8-22-18(15)27-26-16)24-14-5-10-7-23-25-13(10)6-12(14)20/h1-8H,(H,23,25)(H2,21,22,24,26,27)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227720
PNG
(3-bromo-n-(6-fluoro-1h-indazol-5-yl)-1h-pyrazolo[3...)
Show SMILES Fc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C12H7BrFN7/c13-10-9-11(15-4-16-12(9)21-20-10)18-8-1-5-3-17-19-7(5)2-6(8)14/h1-4H,(H,17,19)(H2,15,16,18,20,21)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227727
PNG
(3-(4-fluorophenyl)-n-(1h-indazol-5-yl)-1h-pyrazolo...)
Show SMILES Fc1ccc(cc1)-c1n[nH]c2ncnc(Nc3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C18H12FN7/c19-12-3-1-10(2-4-12)16-15-17(20-9-21-18(15)26-25-16)23-13-5-6-14-11(7-13)8-22-24-14/h1-9H,(H,22,24)(H2,20,21,23,25,26)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227721
PNG
(3-bromo-n-(1h-indazol-5-yl)-1h-pyrazolo[3,4-d]pyri...)
Show SMILES Brc1n[nH]c2ncnc(Nc3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C12H8BrN7/c13-10-9-11(14-5-15-12(9)20-19-10)17-7-1-2-8-6(3-7)4-16-18-8/h1-5H,(H,16,18)(H2,14,15,17,19,20)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227720
PNG
(3-bromo-n-(6-fluoro-1h-indazol-5-yl)-1h-pyrazolo[3...)
Show SMILES Fc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C12H7BrFN7/c13-10-9-11(15-4-16-12(9)21-20-10)18-8-1-5-3-17-19-7(5)2-6(8)14/h1-4H,(H,17,19)(H2,15,16,18,20,21)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227732
PNG
(3-bromo-n-(6-isopropoxy-1h-indazol-5-yl)-1h-pyrazo...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C15H14BrN7O/c1-7(2)24-11-4-9-8(5-19-21-9)3-10(11)20-14-12-13(16)22-23-15(12)18-6-17-14/h3-7H,1-2H3,(H,19,21)(H2,17,18,20,22,23)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227734
PNG
(3-(4-fluorophenyl)-n-(6-isopropoxy-1h-indazol-5-yl...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(-c3ccc(F)cc3)c12
Show InChI InChI=1S/C21H18FN7O/c1-11(2)30-17-8-15-13(9-25-27-15)7-16(17)26-20-18-19(12-3-5-14(22)6-4-12)28-29-21(18)24-10-23-20/h3-11H,1-2H3,(H,25,27)(H2,23,24,26,28,29)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227721
PNG
(3-bromo-n-(1h-indazol-5-yl)-1h-pyrazolo[3,4-d]pyri...)
Show SMILES Brc1n[nH]c2ncnc(Nc3ccc4[nH]ncc4c3)c12
Show InChI InChI=1S/C12H8BrN7/c13-10-9-11(14-5-15-12(9)20-19-10)17-7-1-2-8-6(3-7)4-16-18-8/h1-5H,(H,16,18)(H2,14,15,17,19,20)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227732
PNG
(3-bromo-n-(6-isopropoxy-1h-indazol-5-yl)-1h-pyrazo...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C15H14BrN7O/c1-7(2)24-11-4-9-8(5-19-21-9)3-10(11)20-14-12-13(16)22-23-15(12)18-6-17-14/h3-7H,1-2H3,(H,19,21)(H2,17,18,20,22,23)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227717
PNG
(US9556181, 2 | n-(6-methoxy-1h-indazol-5-yl)-h-pyr...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2[nH]ncc12
Show InChI InChI=1S/C13H11N7O/c1-21-11-3-9-7(4-16-19-9)2-10(11)18-12-8-5-17-20-13(8)15-6-14-12/h2-6H,1H3,(H,16,19)(H2,14,15,17,18,20)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227732
PNG
(3-bromo-n-(6-isopropoxy-1h-indazol-5-yl)-1h-pyrazo...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]nc(Br)c12
Show InChI InChI=1S/C15H14BrN7O/c1-7(2)24-11-4-9-8(5-19-21-9)3-10(11)20-14-12-13(16)22-23-15(12)18-6-17-14/h3-7H,1-2H3,(H,19,21)(H2,17,18,20,22,23)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227714
PNG
(US9556181, 1 | n-(1h-indazol-5-yl)-1h-pyrazolo[3,4...)
Show SMILES N(c1ccc2[nH]ncc2c1)c1ncnc2[nH]ncc12
Show InChI InChI=1S/C12H9N7/c1-2-10-7(4-15-18-10)3-8(1)17-11-9-5-16-19-12(9)14-6-13-11/h1-6H,(H,15,18)(H2,13,14,16,17,19)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
MAP kinase signal-integrating kinase 1 (MKNK1)


(Homo sapiens (Human))
BDBM227718
PNG
(US9556181, 3 | n-[6-(propan-2-yloxy)-1h-indazol-5-...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2[nH]ncc12
Show InChI InChI=1S/C15H15N7O/c1-8(2)23-13-4-11-9(5-18-21-11)3-12(13)20-14-10-6-19-22-15(10)17-7-16-14/h3-8H,1-2H3,(H,18,21)(H2,16,17,19,20,22)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
TBDA recombinant fusion protein of Glutathione-S-Transferase (GST, N-terminally) and human full-length MKNK1 (amino acids 1-424 and T344D of accessio...


Citation and Details
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%