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Found 272 hits Enz. Inhib. hit(s) with Target = 'MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176784
PNG
(US9675612, 27 N,N-Dimethyl-7-[(2-oxo-2,3-dihydro-1...)
Show SMILES CN(C)C(=O)c1nc2c(Nc3ccc4[nH]c(=O)sc4c3)ncnc2s1
Show InChI InChI=1S/C15H12N6O2S2/c1-21(2)14(22)13-20-10-11(16-6-17-12(10)25-13)18-7-3-4-8-9(5-7)24-15(23)19-8/h3-6H,1-2H3,(H,19,23)(H,16,17,18)
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US Patent
n/an/a 408n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176785
PNG
(US9675612, 28 7-[(5-Methoxy-2-oxo-2,3-dihydro-1,3-...)
Show SMILES COc1cc2[nH]c(=O)sc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)C
Show InChI InChI=1S/C16H14N6O3S2/c1-22(2)15(23)14-21-11-12(17-6-18-13(11)27-14)19-7-5-10-8(4-9(7)25-3)20-16(24)26-10/h4-6H,1-3H3,(H,20,24)(H,17,18,19)
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n/an/a 1.08E+3n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176790
PNG
(US9675612, 29 7-[(6-Methoxy-1H-indazol-5-yl)amino]...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)C
Show InChI InChI=1S/C16H15N7O2S/c1-23(2)16(24)15-21-12-13(17-7-18-14(12)26-15)20-10-4-8-6-19-22-9(8)5-11(10)25-3/h4-7H,1-3H3,(H,19,22)(H,17,18,20)
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n/an/a 199n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176791
PNG
(US9675612, 30 7-[(6-Ethoxy-1H-indazol-5-yl)amino]-...)
Show SMILES CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)C
Show InChI InChI=1S/C17H17N7O2S/c1-4-26-12-6-10-9(7-20-23-10)5-11(12)21-14-13-15(19-8-18-14)27-16(22-13)17(25)24(2)3/h5-8H,4H2,1-3H3,(H,20,23)(H,18,19,21)
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n/an/a 42n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176793
PNG
(US9675612, 31 [7-(1H-Indazol-5-ylamino)[1,3]thiazo...)
Show SMILES O=C(N1CCCCC1)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
Show InChI InChI=1S/C18H17N7OS/c26-18(25-6-2-1-3-7-25)17-23-14-15(19-10-20-16(14)27-17)22-12-4-5-13-11(8-12)9-21-24-13/h4-5,8-10H,1-3,6-7H2,(H,21,24)(H,19,20,22)
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n/an/a 188n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176794
PNG
(US9675612, 32 6-{[2-(Piperidin-1-ylcarbonyl)[1,3]t...)
Show SMILES O=C(N1CCCCC1)c1nc2c(Nc3ccc4[nH]c(=O)sc4c3)ncnc2s1
Show InChI InChI=1S/C18H16N6O2S2/c25-17(24-6-2-1-3-7-24)16-23-13-14(19-9-20-15(13)28-16)21-10-4-5-11-12(8-10)27-18(26)22-11/h4-5,8-9H,1-3,6-7H2,(H,22,26)(H,19,20,21)
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n/an/a 137n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176795
PNG
(US9675612, 33 {7-[(6-Methoxy-1H-indazol-5-yl)amino...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C19H19N7O2S/c1-28-14-8-12-11(9-22-25-12)7-13(14)23-16-15-17(21-10-20-16)29-18(24-15)19(27)26-5-3-2-4-6-26/h7-10H,2-6H2,1H3,(H,22,25)(H,20,21,23)
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n/an/a 17n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176796
PNG
(US9675612, 34 {7-[(6-Ethoxy-1H-indazol-5-yl)amino]...)
Show SMILES CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C20H21N7O2S/c1-2-29-15-9-13-12(10-23-26-13)8-14(15)24-17-16-18(22-11-21-17)30-19(25-16)20(28)27-6-4-3-5-7-27/h8-11H,2-7H2,1H3,(H,23,26)(H,21,22,24)
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n/an/a 34n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176798
PNG
(US9675612, 35 Piperidin-1-yl(7-{[6-(propan-2-yloxy...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N1CCCCC1
Show InChI InChI=1S/C21H23N7O2S/c1-12(2)30-16-9-14-13(10-24-27-14)8-15(16)25-18-17-19(23-11-22-18)31-20(26-17)21(29)28-6-4-3-5-7-28/h8-12H,3-7H2,1-2H3,(H,24,27)(H,22,23,25)
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n/an/a 102n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176799
PNG
(US9675612, 36 N-[2-(Dimethylamino)-2-oxoethyl]-7-(...)
Show SMILES CN(C)C(=O)CN(C)C(=O)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
Show InChI InChI=1S/C18H18N8O2S/c1-25(2)13(27)8-26(3)18(28)17-23-14-15(19-9-20-16(14)29-17)22-11-4-5-12-10(6-11)7-21-24-12/h4-7,9H,8H2,1-3H3,(H,21,24)(H,19,20,22)
PDB

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n/an/a 81n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176800
PNG
(US9675612, 37 N-[2-(Dimethylamino)-2-oxoethyl]-N-m...)
Show SMILES CN(C)C(=O)CN(C)C(=O)c1nc2c(Nc3ccc4[nH]c(=O)sc4c3)ncnc2s1
Show InChI InChI=1S/C18H17N7O3S2/c1-24(2)12(26)7-25(3)17(27)16-23-13-14(19-8-20-15(13)30-16)21-9-4-5-10-11(6-9)29-18(28)22-10/h4-6,8H,7H2,1-3H3,(H,22,28)(H,19,20,21)
PDB

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n/an/a 445n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176801
PNG
(US9675612, 38 N-[2-(Dimethylamino)-2-oxoethyl]-7-[...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CC(=O)N(C)C
Show InChI InChI=1S/C19H20N8O3S/c1-26(2)14(28)8-27(3)19(29)18-24-15-16(20-9-21-17(15)31-18)23-12-5-10-7-22-25-11(10)6-13(12)30-4/h5-7,9H,8H2,1-4H3,(H,22,25)(H,20,21,23)
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n/an/a 136n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176802
PNG
(US9675612, 39 N-[2-(Dimethylamino)-2-oxoethyl]-N-m...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CC(=O)N(C)C
Show InChI InChI=1S/C21H24N8O3S/c1-11(2)32-15-7-13-12(8-24-27-13)6-14(15)25-18-17-19(23-10-22-18)33-20(26-17)21(31)29(5)9-16(30)28(3)4/h6-8,10-11H,9H2,1-5H3,(H,24,27)(H,22,23,25)
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n/an/a 98n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176803
PNG
(US9675612, 40 N-[3-(Dimethylamino)-3-oxopropyl]-7-...)
Show SMILES CN(C)C(=O)CCN(C)C(=O)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
Show InChI InChI=1S/C19H20N8O2S/c1-26(2)14(28)6-7-27(3)19(29)18-24-15-16(20-10-21-17(15)30-18)23-12-4-5-13-11(8-12)9-22-25-13/h4-5,8-10H,6-7H2,1-3H3,(H,22,25)(H,20,21,23)
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n/an/a 49n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176804
PNG
(US9675612, 41 N-[3-(Dimethylamino)-3-oxopropyl]-N-...)
Show SMILES CN(C)C(=O)CCN(C)C(=O)c1nc2c(Nc3ccc4[nH]c(=O)sc4c3)ncnc2s1
Show InChI InChI=1S/C19H19N7O3S2/c1-25(2)13(27)6-7-26(3)18(28)17-24-14-15(20-9-21-16(14)31-17)22-10-4-5-11-12(8-10)30-19(29)23-11/h4-5,8-9H,6-7H2,1-3H3,(H,23,29)(H,20,21,22)
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n/an/a 2.75E+3n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176805
PNG
(US9675612, 42 N-[3-(Dimethylamino)-3-oxopropyl]-7-...)
Show SMILES CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CCC(=O)N(C)C
Show InChI InChI=1S/C21H24N8O3S/c1-5-32-15-9-13-12(10-24-27-13)8-14(15)25-18-17-19(23-11-22-18)33-20(26-17)21(31)29(4)7-6-16(30)28(2)3/h8-11H,5-7H2,1-4H3,(H,24,27)(H,22,23,25)
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n/an/a 125n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176806
PNG
(US9675612, 43 7-(1H-Indazol-5-ylamino)-N,N-dimethy...)
Show SMILES CN(C)C(=O)c1nc2c(Nc3ccc4[nH]ncc4c3)ncnc2s1
Show InChI InChI=1S/C15H13N7OS/c1-22(2)15(23)14-20-11-12(16-7-17-13(11)24-14)19-9-3-4-10-8(5-9)6-18-21-10/h3-7H,1-2H3,(H,18,21)(H,16,17,19)
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n/an/a 202n/an/an/an/a7.5n/a



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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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176807
PNG
(US9675612, 44 N,N-Dimethyl-7-{[6-(propan-2-yloxy)-...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)C
Show InChI InChI=1S/C18H19N7O2S/c1-9(2)27-13-6-11-10(7-21-24-11)5-12(13)22-15-14-16(20-8-19-15)28-17(23-14)18(26)25(3)4/h5-9H,1-4H3,(H,21,24)(H,19,20,22)
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n/an/a 52n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176808
PNG
(US9675612, 45 N-[2-(Dimethylamino)-2-oxoethyl]-7-[...)
Show SMILES CCOc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CC(=O)N(C)C
Show InChI InChI=1S/C20H22N8O3S/c1-5-31-14-7-12-11(8-23-26-12)6-13(14)24-17-16-18(22-10-21-17)32-19(25-16)20(30)28(4)9-15(29)27(2)3/h6-8,10H,5,9H2,1-4H3,(H,23,26)(H,21,22,24)
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n/an/a 57n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176810
PNG
(US9675612, 46 N-[3-(Dimethylamino)-3-oxopropyl]-7-...)
Show SMILES COc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CCC(=O)N(C)C
Show InChI InChI=1S/C20H22N8O3S/c1-27(2)15(29)5-6-28(3)20(30)19-25-16-17(21-10-22-18(16)32-19)24-13-7-11-9-23-26-12(11)8-14(13)31-4/h7-10H,5-6H2,1-4H3,(H,23,26)(H,21,22,24)
PDB

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n/an/a 184n/an/an/an/a7.5n/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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM176814
PNG
(US9675612, 47 N-[3-(Dimethylamino)-3-oxopropyl]-7-...)
Show SMILES CC(C)Oc1cc2[nH]ncc2cc1Nc1ncnc2sc(nc12)C(=O)N(C)CCC(=O)N(C)C
Show InChI InChI=1S/C22H26N8O3S/c1-12(2)33-16-9-14-13(10-25-28-14)8-15(16)26-19-18-20(24-11-23-19)34-21(27-18)22(32)30(5)7-6-17(31)29(3)4/h8-12H,6-7H2,1-5H3,(H,25,28)(H,23,24,26)
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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 US9675612 (2017)


BindingDB Entry DOI: 10.7270/Q2RN3612
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM211961
PNG
(US9290482, 1)
Show SMILES COc1nccc2oc(cc12)-c1cnc2ccc(OC[C@H]3CNCCO3)nn12
Show InChI InChI=1S/C19H19N5O4/c1-25-19-13-8-16(28-15(13)4-5-21-19)14-10-22-17-2-3-18(23-24(14)17)27-11-12-9-20-6-7-26-12/h2-5,8,10,12,20H,6-7,9,11H2,1H3/t12-/m1/s1
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Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM211962
PNG
(US9290482, 2)
Show SMILES COc1nccc2oc(cc12)-c1cnc2ccc(OCC3CNC3)nn12
Show InChI InChI=1S/C18H17N5O3/c1-24-18-12-6-15(26-14(12)4-5-20-18)13-9-21-16-2-3-17(22-23(13)16)25-10-11-7-19-8-11/h2-6,9,11,19H,7-8,10H2,1H3
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Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM211963
PNG
(US9290482, 3)
Show SMILES CN[C@H](C)COc1ccc2ncc(-c3cc4c(OC)nccc4o3)n2n1
Show InChI InChI=1S/C18H19N5O3/c1-11(19-2)10-25-17-5-4-16-21-9-13(23(16)22-17)15-8-12-14(26-15)6-7-20-18(12)24-3/h4-9,11,19H,10H2,1-3H3/t11-/m1/s1
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Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM211964
PNG
(US9290482, 4)
Show SMILES C(Oc1ccc2ncc(-c3cc4cnccc4o3)n2n1)[C@H]1CNCCO1
Show InChI InChI=1S/C18H17N5O3/c1-2-18(25-11-13-9-20-5-6-24-13)22-23-14(10-21-17(1)23)16-7-12-8-19-4-3-15(12)26-16/h1-4,7-8,10,13,20H,5-6,9,11H2/t13-/m1/s1
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Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM211965
PNG
(US9290482, 5)
Show SMILES C(Oc1ccc2ncc(-c3cc4ncccc4o3)n2n1)[C@H]1CNCCO1
Show InChI InChI=1S/C18H17N5O3/c1-2-15-13(20-5-1)8-16(26-15)14-10-21-17-3-4-18(22-23(14)17)25-11-12-9-19-6-7-24-12/h1-5,8,10,12,19H,6-7,9,11H2/t12-/m1/s1
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Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM211966
PNG
(US9290482, 6)
Show SMILES C(C[C@@H]1CCCN1)Oc1ccc2ncc(-c3cc4cnccc4o3)n2n1
Show InChI InChI=1S/C19H19N5O2/c1-2-14(21-7-1)6-9-25-19-4-3-18-22-12-15(24(18)23-19)17-10-13-11-20-8-5-16(13)26-17/h3-5,8,10-12,14,21H,1-2,6-7,9H2/t14-/m0/s1
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Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM211967
PNG
(US9290482, 7)
Show SMILES COc1nccc2oc(cc12)-c1cnc2ccc(O[C@@H](CNC3CC3)c3ccc(F)cc3)nn12
Show InChI InChI=1S/C25H22FN5O3/c1-32-25-18-12-21(33-20(18)10-11-27-25)19-13-29-23-8-9-24(30-31(19)23)34-22(14-28-17-6-7-17)15-2-4-16(26)5-3-15/h2-5,8-13,17,22,28H,6-7,14H2,1H3/t22-/m0/s1
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Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM211968
PNG
(US9290482, 8)
Show SMILES COc1nccc2oc(cc12)-c1cnc2ccc(OCC3CCCCN3)nn12
Show InChI InChI=1S/C20H21N5O3/c1-26-20-14-10-17(28-16(14)7-9-22-20)15-11-23-18-5-6-19(24-25(15)18)27-12-13-4-2-3-8-21-13/h5-7,9-11,13,21H,2-4,8,12H2,1H3
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Assay Description
For the assay 50 nl nL of a 100fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384well microtiter plate ...


US Patent US9290482 (2016)


BindingDB Entry DOI: 10.7270/Q2B856ZD
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223020
PNG
(US9320737, I.1)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCSC)nn12
Show InChI InChI=1S/C19H19N3O3S/c1-23-15-5-3-6-16-13(15)11-17(25-16)14-12-20-18-7-8-19(21-22(14)18)24-9-4-10-26-2/h3,5-8,11-12H,4,9-10H2,1-2H3
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US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223021
PNG
(US9320737, I.2)
Show SMILES CSCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H17N3O2S/c1-24-10-4-9-22-18-8-7-17-19-12-14(21(17)20-18)16-11-13-5-2-3-6-15(13)23-16/h2-3,5-8,11-12H,4,9-10H2,1H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223022
PNG
(US9320737, I.3)
Show SMILES CSCCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H19N3O2S/c1-25-11-5-4-10-23-19-9-8-18-20-13-15(22(18)21-19)17-12-14-6-2-3-7-16(14)24-17/h2-3,6-9,12-13H,4-5,10-11H2,1H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223023
PNG
(US9320737, I.4)
Show SMILES CSCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C17H15N3O2S/c1-23-9-8-21-17-7-6-16-18-11-13(20(16)19-17)15-10-12-4-2-3-5-14(12)22-15/h2-7,10-11H,8-9H2,1H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223024
PNG
(US9320737, II.1)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)=O)nn12
Show InChI InChI=1S/C19H19N3O4S/c1-24-15-5-3-6-16-13(15)11-17(26-16)14-12-20-18-7-8-19(21-22(14)18)25-9-4-10-27(2)23/h3,5-8,11-12H,4,9-10H2,1-2H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223025
PNG
(US9320737, II.2)
Show SMILES CS(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H17N3O3S/c1-25(22)10-4-9-23-18-8-7-17-19-12-14(21(17)20-18)16-11-13-5-2-3-6-15(13)24-16/h2-3,5-8,11-12H,4,9-10H2,1H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223026
PNG
(US9320737, II.3)
Show SMILES CS(=O)CCCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C19H19N3O3S/c1-26(23)11-5-4-10-24-19-9-8-18-20-13-15(22(18)21-19)17-12-14-6-2-3-7-16(14)25-17/h2-3,6-9,12-13H,4-5,10-11H2,1H3
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US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223027
PNG
(US9320737, II.4)
Show SMILES CS(=O)CCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C17H15N3O3S/c1-24(21)9-8-22-17-7-6-16-18-11-13(20(16)19-17)15-10-12-4-2-3-5-14(12)23-15/h2-7,10-11H,8-9H2,1H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223028
PNG
(US9320737, III.1)
Show SMILES CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4ccccc4o3)n2n1
Show InChI InChI=1S/C18H17N3O4S/c1-26(22,23)10-4-9-24-18-8-7-17-19-12-14(21(17)20-18)16-11-13-5-2-3-6-15(13)25-16/h2-3,5-8,11-12H,4,9-10H2,1H3
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US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223029
PNG
(US9320737, III.2)
Show SMILES COc1ccc2oc(cc2c1)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
Show InChI InChI=1S/C19H19N3O5S/c1-25-14-4-5-16-13(10-14)11-17(27-16)15-12-20-18-6-7-19(21-22(15)18)26-8-3-9-28(2,23)24/h4-7,10-12H,3,8-9H2,1-2H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223030
PNG
(US9320737, III.3)
Show SMILES COc1cccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
Show InChI InChI=1S/C19H19N3O5S/c1-25-15-5-3-6-16-13(15)11-17(27-16)14-12-20-18-7-8-19(21-22(14)18)26-9-4-10-28(2,23)24/h3,5-8,11-12H,4,9-10H2,1-2H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223031
PNG
(US9320737, III.4)
Show SMILES CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cc(F)ccc4o3)n2n1
Show InChI InChI=1S/C18H16FN3O4S/c1-27(23,24)8-2-7-25-18-6-5-17-20-11-14(22(17)21-18)16-10-12-9-13(19)3-4-15(12)26-16/h3-6,9-11H,2,7-8H2,1H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223032
PNG
(US9320737, III.5)
Show SMILES CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cc(Cl)ccc4o3)n2n1
Show InChI InChI=1S/C18H16ClN3O4S/c1-27(23,24)8-2-7-25-18-6-5-17-20-11-14(22(17)21-18)16-10-12-9-13(19)3-4-15(12)26-16/h3-6,9-11H,2,7-8H2,1H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223033
PNG
(US9320737, III.6)
Show SMILES CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cccc(F)c4o3)n2n1
Show InChI InChI=1S/C18H16FN3O4S/c1-27(23,24)9-3-8-25-17-7-6-16-20-11-14(22(16)21-17)15-10-12-4-2-5-13(19)18(12)26-15/h2,4-7,10-11H,3,8-9H2,1H3
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Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223034
PNG
(US9320737, III.7)
Show SMILES Cc1c(oc2ccccc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
Show InChI InChI=1S/C19H19N3O4S/c1-13-14-6-3-4-7-16(14)26-19(13)15-12-20-17-8-9-18(21-22(15)17)25-10-5-11-27(2,23)24/h3-4,6-9,12H,5,10-11H2,1-2H3
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n/an/a 61n/an/an/an/a7.522



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223035
PNG
(US9320737, III.8)
Show SMILES Cc1cccc2cc(oc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
Show InChI InChI=1S/C19H19N3O4S/c1-13-5-3-6-14-11-16(26-19(13)14)15-12-20-17-7-8-18(21-22(15)17)25-9-4-10-27(2,23)24/h3,5-8,11-12H,4,9-10H2,1-2H3
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n/an/a 70n/an/an/an/a7.522



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223036
PNG
(US9320737, III.9)
Show SMILES CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4c(F)cccc4o3)n2n1
Show InChI InChI=1S/C18H16FN3O4S/c1-27(23,24)9-3-8-25-18-7-6-17-20-11-14(22(17)21-18)16-10-12-13(19)4-2-5-15(12)26-16/h2,4-7,10-11H,3,8-9H2,1H3
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n/an/a 17n/an/an/an/a7.522



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223037
PNG
(US9320737, III.10)
Show SMILES Cc1cc2ncc(-c3cc4ccccc4o3)n2nc1OCCCS(C)(=O)=O
Show InChI InChI=1S/C19H19N3O4S/c1-13-10-18-20-12-15(17-11-14-6-3-4-7-16(14)26-17)22(18)21-19(13)25-8-5-9-27(2,23)24/h3-4,6-7,10-12H,5,8-9H2,1-2H3
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n/an/a 11n/an/an/an/a7.522



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223038
PNG
(US9320737, III.11)
Show SMILES CS(=O)(=O)CCCOc1nn2c(cnc2cc1-c1ccccc1)-c1cc2ccccc2o1
Show InChI InChI=1S/C24H21N3O4S/c1-32(28,29)13-7-12-30-24-19(17-8-3-2-4-9-17)15-23-25-16-20(27(23)26-24)22-14-18-10-5-6-11-21(18)31-22/h2-6,8-11,14-16H,7,12-13H2,1H3
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n/an/a 17n/an/an/an/a7.522



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223039
PNG
(US9320737, III.12)
Show SMILES COc1nccc2oc(cc12)-c1cnc2ccc(OCCCS(C)(=O)=O)nn12
Show InChI InChI=1S/C18H18N4O5S/c1-25-18-12-10-15(27-14(12)6-7-19-18)13-11-20-16-4-5-17(21-22(13)16)26-8-3-9-28(2,23)24/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 12n/an/an/an/a7.522



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
MAP kinase-interacting serine/threonine-protein kinase 1 (T344D)


(Homo sapiens (Human))
BDBM223040
PNG
(US9320737, III.13)
Show SMILES CS(=O)(=O)CCCOc1ccc2ncc(-c3cc4cnccc4o3)n2n1
Show InChI InChI=1S/C17H16N4O4S/c1-26(22,23)8-2-7-24-17-4-3-16-19-11-13(21(16)20-17)15-9-12-10-18-6-5-14(12)25-15/h3-6,9-11H,2,7-8H2,1H3
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n/an/a 28n/an/an/an/a7.522



Bayer Intellectual Property GmbH

US Patent


Assay Description
For the assay 50 mL 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 US9320737 (2016)


BindingDB Entry DOI: 10.7270/Q22V2F00
More data for this
Ligand-Target Pair
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