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Compile Data Set for Download or QSAR

Found 126 hits Enz. Inhib. hit(s) with Target = 'GST-MKNK1' AND taxid = 9606   
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
GST-MKNK1


(Homo sapiens (Human))
BDBM218770
PNG
(US9296757, 92)
Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)N(CCN(C)C)Cc1ccccc1
Show InChI InChI=1S/C30H32N6O3S2/c1-35(2)11-12-36(16-18-7-5-4-6-8-18)29(37)19-9-10-20-24(13-19)40-28-26(20)27(31-17-32-28)33-21-15-25-22(14-23(21)39-3)34-30(38)41-25/h4-8,14-15,17,19H,9-13,16H2,1-3H3,(H,34,38)(H,31,32,33)
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n/an/a 0.600n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218771
PNG
(US9296757, 93)
Show SMILES COCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21
Show InChI InChI=1S/C25H29N5O5S2/c1-33-8-6-30(7-9-34-2)24(31)14-4-5-15-19(10-14)36-23-21(15)22(26-13-27-23)28-16-12-20-17(11-18(16)35-3)29-25(32)37-20/h11-14H,4-10H2,1-3H3,(H,29,32)(H,26,27,28)
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n/an/a 0.700n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218766
PNG
(US9296757, 88)
Show SMILES CCCCN(CC#N)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21
Show InChI InChI=1S/C25H26N6O3S2/c1-3-4-8-31(9-7-26)24(32)14-5-6-15-19(10-14)35-23-21(15)22(27-13-28-23)29-16-12-20-17(11-18(16)34-2)30-25(33)36-20/h11-14H,3-6,8-10H2,1-2H3,(H,30,33)(H,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218768
PNG
(US9296757, 90)
Show SMILES CCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21
Show InChI InChI=1S/C24H27N5O4S2/c1-4-29(7-8-32-2)23(30)13-5-6-14-18(9-13)34-22-20(14)21(25-12-26-22)27-15-11-19-16(10-17(15)33-3)28-24(31)35-19/h10-13H,4-9H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 1n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218767
PNG
(US9296757, 89)
Show SMILES CCCCN(C)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21
Show InChI InChI=1S/C24H27N5O3S2/c1-4-5-8-29(2)23(30)13-6-7-14-18(9-13)33-22-20(14)21(25-12-26-22)27-15-11-19-16(10-17(15)32-3)28-24(31)34-19/h10-13H,4-9H2,1-3H3,(H,28,31)(H,25,26,27)
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n/an/a 1.90n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218765
PNG
(US9296757, 87)
Show SMILES CCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21
Show InChI InChI=1S/C25H29N5O4S2/c1-4-7-30(8-9-33-2)24(31)14-5-6-15-19(10-14)35-23-21(15)22(26-13-27-23)28-16-12-20-17(11-18(16)34-3)29-25(32)36-20/h11-14H,4-10H2,1-3H3,(H,29,32)(H,26,27,28)
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n/an/a 2n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218764
PNG
(US9296757, 86)
Show SMILES CCN(C(C)C)C(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21
Show InChI InChI=1S/C24H27N5O3S2/c1-5-29(12(2)3)23(30)13-6-7-14-18(8-13)33-22-20(14)21(25-11-26-22)27-15-10-19-16(9-17(15)32-4)28-24(31)34-19/h9-13H,5-8H2,1-4H3,(H,28,31)(H,25,26,27)
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n/an/a 3n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214639
PNG
(US9284319, 7)
Show SMILES OC[C@@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218763
PNG
(US9296757, 85)
Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)N(C)C
Show InChI InChI=1S/C21H21N5O3S2/c1-26(2)20(27)10-4-5-11-15(6-10)30-19-17(11)18(22-9-23-19)24-12-8-16-13(7-14(12)29-3)25-21(28)31-16/h7-10H,4-6H2,1-3H3,(H,25,28)(H,22,23,24)
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n/an/a 4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218709
PNG
(US9296757, 31)
Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc3CC(CCc3c12)C(=O)NC(C)C
Show InChI InChI=1S/C22H23N5O3S2/c1-10(2)25-20(28)11-4-5-12-16(6-11)31-21-18(12)19(23-9-24-21)26-13-8-17-14(7-15(13)30-3)27-22(29)32-17/h7-11H,4-6H2,1-3H3,(H,25,28)(H,27,29)(H,23,24,26)
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n/an/a 4n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214635
PNG
(US9284319, 3)
Show SMILES OC1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2
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n/an/a 6n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214633
PNG
(US9284319, 1)
Show SMILES OC[C@@H]1CCCN1c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H18N4O2/c24-12-14-5-3-9-22(14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m0/s1
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n/an/a 7n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218714
PNG
(US9296757, 36)
Show SMILES CN(C)CCN(Cc1ccccc1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C29H30N6O2S2/c1-34(2)12-13-35(16-18-6-4-3-5-7-18)28(36)19-8-10-21-23(14-19)38-27-25(21)26(30-17-31-27)32-20-9-11-22-24(15-20)39-29(37)33-22/h3-7,9,11,15,17,19H,8,10,12-14,16H2,1-2H3,(H,33,37)(H,30,31,32)
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218687
PNG
(US9296757, 9)
Show SMILES O=C(NCc1ccccc1)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C25H21N5O2S2/c31-23(26-12-14-4-2-1-3-5-14)15-6-8-17-19(10-15)33-24-21(17)22(27-13-28-24)29-16-7-9-18-20(11-16)34-25(32)30-18/h1-5,7,9,11,13,15H,6,8,10,12H2,(H,26,31)(H,30,32)(H,27,28,29)
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n/an/a 9n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218688
PNG
(US9296757, 10)
Show SMILES FC(F)(F)c1cccc(CNC(=O)C2CCc3c(C2)sc2ncnc(Nc4ccc5[nH]c(=O)sc5c4)c32)c1
Show InChI InChI=1S/C26H20F3N5O2S2/c27-26(28,29)15-3-1-2-13(8-15)11-30-23(35)14-4-6-17-19(9-14)37-24-21(17)22(31-12-32-24)33-16-5-7-18-20(10-16)38-25(36)34-18/h1-3,5,7-8,10,12,14H,4,6,9,11H2,(H,30,35)(H,34,36)(H,31,32,33)
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n/an/a 11n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214649
PNG
(US9284319, R7)
Show SMILES CN(C)CCNc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H19N5O/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214638
PNG
(US9284319, 6)
Show SMILES OC1CN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C17H14N4O2/c22-12-9-20(10-12)17-6-5-16-18-8-13(21(16)19-17)15-7-11-3-1-2-4-14(11)23-15/h1-8,12,22H,9-10H2
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n/an/a 12n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214637
PNG
(US9284319, 5)
Show SMILES OCC1CCCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C20H20N4O2/c25-13-14-4-3-9-23(12-14)20-8-7-19-21-11-16(24(19)22-20)18-10-15-5-1-2-6-17(15)26-18/h1-2,5-8,10-11,14,25H,3-4,9,12-13H2
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n/an/a 13n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214649
PNG
(US9284319, R7)
Show SMILES CN(C)CCNc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H19N5O/c1-22(2)10-9-19-17-7-8-18-20-12-14(23(18)21-17)16-11-13-5-3-4-6-15(13)24-16/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)
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n/an/a 13n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214639
PNG
(US9284319, 7)
Show SMILES OC[C@@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m1/s1
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US Patent
n/an/a 14n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214641
PNG
(US9284319, 9)
Show SMILES O[C@@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2/t13-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214636
PNG
(US9284319, 4)
Show SMILES O[C@@H]1CCCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H18N4O2/c24-14-5-3-9-22(12-14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214640
PNG
(US9284319, 8)
Show SMILES O[C@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2/t13-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218708
PNG
(US9296757, 30 | US9296757, 33)
Show SMILES CCOC(=O)C1CCc2c(C1)sc1ncnc(Nc3cc4sc(=O)[nH]c4cc3OC)c21
Show InChI InChI=1S/C21H20N4O4S2/c1-3-29-20(26)10-4-5-11-15(6-10)30-19-17(11)18(22-9-23-19)24-12-8-16-13(7-14(12)28-2)25-21(27)31-16/h7-10H,3-6H2,1-2H3,(H,25,27)(H,22,23,24)
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n/an/a 15n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214648
PNG
(US9284319, R6)
Show SMILES C(Cc1ccccn1)Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C21H17N5O/c1-2-7-18-15(5-1)13-19(27-18)17-14-24-21-9-8-20(25-26(17)21)23-12-10-16-6-3-4-11-22-16/h1-9,11,13-14H,10,12H2,(H,23,25)
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n/an/a 17n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214635
PNG
(US9284319, 3)
Show SMILES OC1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2
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n/an/a 17n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218747
PNG
(US9296757, 69)
Show SMILES CCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C24H27N5O3S2/c1-3-8-29(9-10-32-2)23(30)14-4-6-16-18(11-14)33-22-20(16)21(25-13-26-22)27-15-5-7-17-19(12-15)34-24(31)28-17/h5,7,12-14H,3-4,6,8-11H2,1-2H3,(H,28,31)(H,25,26,27)
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n/an/a 19n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214640
PNG
(US9284319, 8)
Show SMILES O[C@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H16N4O2/c23-13-7-8-21(11-13)18-6-5-17-19-10-14(22(17)20-18)16-9-12-3-1-2-4-15(12)24-16/h1-6,9-10,13,23H,7-8,11H2/t13-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214633
PNG
(US9284319, 1)
Show SMILES OC[C@@H]1CCCN1c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H18N4O2/c24-12-14-5-3-9-22(14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218712
PNG
(US9296757, 34)
Show SMILES CCCCN(CC#N)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C24H24N6O2S2/c1-2-3-9-30(10-8-25)23(31)14-4-6-16-18(11-14)33-22-20(16)21(26-13-27-22)28-15-5-7-17-19(12-15)34-24(32)29-17/h5,7,12-14H,2-4,6,9-11H2,1H3,(H,29,32)(H,26,27,28)
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n/an/a 20n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214642
PNG
(US9284319, 10)
Show SMILES OC[C@H]1CCN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H18N4O2/c24-12-13-7-8-22(11-13)19-6-5-18-20-10-15(23(18)21-19)17-9-14-3-1-2-4-16(14)25-17/h1-6,9-10,13,24H,7-8,11-12H2/t13-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218719
PNG
(US9296757, 41)
Show SMILES CCCCN(C)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C23H25N5O2S2/c1-3-4-9-28(2)22(29)13-5-7-15-17(10-13)31-21-19(15)20(24-12-25-21)26-14-6-8-16-18(11-14)32-23(30)27-16/h6,8,11-13H,3-5,7,9-10H2,1-2H3,(H,27,30)(H,24,25,26)
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n/an/a 21n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218707
PNG
(US9296757, 29 | US9296757, 37)
Show SMILES CN1CCN(CC1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C23H24N6O2S2/c1-28-6-8-29(9-7-28)22(30)13-2-4-15-17(10-13)32-21-19(15)20(24-12-25-21)26-14-3-5-16-18(11-14)33-23(31)27-16/h3,5,11-13H,2,4,6-10H2,1H3,(H,27,31)(H,24,25,26)
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n/an/a 22n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214634
PNG
(US9284319, 2)
Show SMILES OC[C@H]1CCCN1c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H18N4O2/c24-12-14-5-3-9-22(14)19-8-7-18-20-11-15(23(18)21-19)17-10-13-4-1-2-6-16(13)25-17/h1-2,4,6-8,10-11,14,24H,3,5,9,12H2/t14-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214650
PNG
(US9284319, R8)
Show SMILES C(Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccncc1
Show InChI InChI=1S/C20H15N5O/c1-2-4-17-15(3-1)11-18(26-17)16-13-23-20-6-5-19(24-25(16)20)22-12-14-7-9-21-10-8-14/h1-11,13H,12H2,(H,22,24)
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n/an/a 23n/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218748
PNG
(US9296757, 70)
Show SMILES CCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C23H25N5O3S2/c1-3-28(8-9-31-2)22(29)13-4-6-15-17(10-13)32-21-19(15)20(24-12-25-21)26-14-5-7-16-18(11-14)33-23(30)27-16/h5,7,11-13H,3-4,6,8-10H2,1-2H3,(H,27,30)(H,24,25,26)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218692
PNG
(US9296757, 14)
Show SMILES Fc1cccc(CNC(=O)C2CCc3c(C2)sc2ncnc(Nc4ccc5[nH]c(=O)sc5c4)c32)c1
Show InChI InChI=1S/C25H20FN5O2S2/c26-15-3-1-2-13(8-15)11-27-23(32)14-4-6-17-19(9-14)34-24-21(17)22(28-12-29-24)30-16-5-7-18-20(10-16)35-25(33)31-18/h1-3,5,7-8,10,12,14H,4,6,9,11H2,(H,27,32)(H,31,33)(H,28,29,30)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218742
PNG
(US9296757, 64)
Show SMILES O=C(C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21)N1CCN2CCCCC2C1
Show InChI InChI=1S/C26H28N6O2S2/c33-25(32-10-9-31-8-2-1-3-17(31)13-32)15-4-6-18-20(11-15)35-24-22(18)23(27-14-28-24)29-16-5-7-19-21(12-16)36-26(34)30-19/h5,7,12,14-15,17H,1-4,6,8-11,13H2,(H,30,34)(H,27,28,29)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218734
PNG
(US9296757, 56)
Show SMILES CN(CC1CCCO1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C24H25N5O3S2/c1-29(11-15-3-2-8-32-15)23(30)13-4-6-16-18(9-13)33-22-20(16)21(25-12-26-22)27-14-5-7-17-19(10-14)34-24(31)28-17/h5,7,10,12-13,15H,2-4,6,8-9,11H2,1H3,(H,28,31)(H,25,26,27)
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n/an/a 27n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218732
PNG
(US9296757, 54)
Show SMILES CC(C)N(CCO)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C23H25N5O3S2/c1-12(2)28(7-8-29)22(30)13-3-5-15-17(9-13)32-21-19(15)20(24-11-25-21)26-14-4-6-16-18(10-14)33-23(31)27-16/h4,6,10-13,29H,3,5,7-9H2,1-2H3,(H,27,31)(H,24,25,26)
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n/an/a 28n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218730
PNG
(US9296757, 52)
Show SMILES COCCN(CCOC)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C24H27N5O4S2/c1-32-9-7-29(8-10-33-2)23(30)14-3-5-16-18(11-14)34-22-20(16)21(25-13-26-22)27-15-4-6-17-19(12-15)35-24(31)28-17/h4,6,12-14H,3,5,7-11H2,1-2H3,(H,28,31)(H,25,26,27)
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US Patent
n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218762
PNG
(US9296757, 84)
Show SMILES COC1CCCN(C1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C24H25N5O3S2/c1-32-15-3-2-8-29(11-15)23(30)13-4-6-16-18(9-13)33-22-20(16)21(25-12-26-22)27-14-5-7-17-19(10-14)34-24(31)28-17/h5,7,10,12-13,15H,2-4,6,8-9,11H2,1H3,(H,28,31)(H,25,26,27)
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n/an/a 30n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218753
PNG
(US9296757, 75)
Show SMILES O=C(C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21)N1CCCC(C1)C#N
Show InChI InChI=1S/C24H22N6O2S2/c25-10-13-2-1-7-30(11-13)23(31)14-3-5-16-18(8-14)33-22-20(16)21(26-12-27-22)28-15-4-6-17-19(9-15)34-24(32)29-17/h4,6,9,12-14H,1-3,5,7-8,11H2,(H,29,32)(H,26,27,28)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218739
PNG
(US9296757, 61)
Show SMILES CN(C1CCN(C1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21)C(C)=O
Show InChI InChI=1S/C25H26N6O3S2/c1-13(32)30(2)16-7-8-31(11-16)24(33)14-3-5-17-19(9-14)35-23-21(17)22(26-12-27-23)28-15-4-6-18-20(10-15)36-25(34)29-18/h4,6,10,12,14,16H,3,5,7-9,11H2,1-2H3,(H,29,34)(H,26,27,28)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218746
PNG
(US9296757, 68)
Show SMILES CC1CN(CC(C)O1)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C24H25N5O3S2/c1-12-9-29(10-13(2)32-12)23(30)14-3-5-16-18(7-14)33-22-20(16)21(25-11-26-22)27-15-4-6-17-19(8-15)34-24(31)28-17/h4,6,8,11-14H,3,5,7,9-10H2,1-2H3,(H,28,31)(H,25,26,27)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218686
PNG
(US9296757, 8)
Show SMILES O=C(Nc1ccccc1)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C24H19N5O2S2/c30-22(28-14-4-2-1-3-5-14)13-6-8-16-18(10-13)32-23-20(16)21(25-12-26-23)27-15-7-9-17-19(11-15)33-24(31)29-17/h1-5,7,9,11-13H,6,8,10H2,(H,28,30)(H,29,31)(H,25,26,27)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214638
PNG
(US9284319, 6)
Show SMILES OC1CN(C1)c1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C17H14N4O2/c22-12-9-20(10-12)17-6-5-16-18-8-13(21(16)19-17)15-7-11-3-1-2-4-14(11)23-15/h1-8,12,22H,9-10H2
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM214650
PNG
(US9284319, R8)
Show SMILES C(Nc1ccc2ncc(-c3cc4ccccc4o3)n2n1)c1ccncc1
Show InChI InChI=1S/C20H15N5O/c1-2-4-17-15(3-1)11-18(26-17)16-13-23-20-6-5-19(24-25(16)20)22-12-14-7-9-21-10-8-14/h1-11,13H,12H2,(H,22,24)
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BAYER INTELLECTUAL PROPERTY GMBH

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9284319 (2016)


BindingDB Entry DOI: 10.7270/Q2765D6D
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218759
PNG
(US9296757, 81)
Show SMILES CN1CCN(CC1CCO)C(=O)C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21
Show InChI InChI=1S/C25H28N6O3S2/c1-30-7-8-31(12-16(30)6-9-32)24(33)14-2-4-17-19(10-14)35-23-21(17)22(26-13-27-23)28-15-3-5-18-20(11-15)36-25(34)29-18/h3,5,11,13-14,16,32H,2,4,6-10,12H2,1H3,(H,29,34)(H,26,27,28)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
GST-MKNK1


(Homo sapiens (Human))
BDBM218756
PNG
(US9296757, 78)
Show SMILES O=C(C1CCc2c(C1)sc1ncnc(Nc3ccc4[nH]c(=O)sc4c3)c21)N1CCN(CC2CC2)CC1
Show InChI InChI=1S/C26H28N6O2S2/c33-25(32-9-7-31(8-10-32)13-15-1-2-15)16-3-5-18-20(11-16)35-24-22(18)23(27-14-28-24)29-17-4-6-19-21(12-17)36-26(34)30-19/h4,6,12,14-16H,1-3,5,7-11,13H2,(H,30,34)(H,27,28,29)
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BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For the assay 50 nL of a 100 fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...


US Patent US9296757 (2016)


BindingDB Entry DOI: 10.7270/Q2XK8DD7
More data for this
Ligand-Target Pair
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