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USPatent US9670202

Compile data set for download or QSAR
Found 22 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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190398
PNG
(US9670202, Example01.09 4-(2-{[4-(diethylcarbamoyl...)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C31H34F4N8O3/c1-3-40(4-2)28(44)22-7-11-25(26(17-22)46-20-31(33,34)35)37-29-38-27-12-10-24(19-43(27)39-29)41-13-15-42(16-14-41)30(45)36-18-21-5-8-23(32)9-6-21/h5-12,17,19H,3-4,13-16,18,20H2,1-2H3,(H,36,45)(H,37,39)
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US Patent
n/an/a 1.70E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190359
PNG
(US9670202, Example01.04 4-(2-{[2-ethoxy-4-(morphol...)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C31H35FN8O4/c1-2-44-27-19-23(29(41)38-15-17-43-18-16-38)5-9-26(27)34-30-35-28-10-8-25(21-40(28)36-30)37-11-13-39(14-12-37)31(42)33-20-22-3-6-24(32)7-4-22/h3-10,19,21H,2,11-18,20H2,1H3,(H,33,42)(H,34,36)
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US Patent
n/an/a 2.60E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190356
PNG
(US9670202, Example01.01 4-(2-{[2-ethoxy-4-(ethylca...)
Show SMILES CCNC(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCC)c1
Show InChI InChI=1S/C29H33FN8O3/c1-3-31-27(39)21-7-11-24(25(17-21)41-4-2)33-28-34-26-12-10-23(19-38(26)35-28)36-13-15-37(16-14-36)29(40)32-18-20-5-8-22(30)9-6-20/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,31,39)(H,32,40)(H,33,35)
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n/an/a 3.10E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190357
PNG
(US9670202, Example01.02 4-(2-{[4-(tert-butylcarbam...)
Show SMILES CC(C)(C)NC(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C31H34F4N8O3/c1-30(2,3)39-27(44)21-6-10-24(25(16-21)46-19-31(33,34)35)37-28-38-26-11-9-23(18-43(26)40-28)41-12-14-42(15-13-41)29(45)36-17-20-4-7-22(32)8-5-20/h4-11,16,18H,12-15,17,19H2,1-3H3,(H,36,45)(H,37,40)(H,39,44)
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n/an/a 5.60E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190801
PNG
(US9670202, Example04.01 3-ethoxy-N-ethyl-4-{[6-(4-...)
Show SMILES CCNC(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCC(CC2)NC(=O)Cc2ccc(F)cc2)c(OCC)c1
Show InChI InChI=1S/C30H34FN7O3/c1-3-32-29(40)21-7-11-25(26(18-21)41-4-2)34-30-35-27-12-10-24(19-38(27)36-30)37-15-13-23(14-16-37)33-28(39)17-20-5-8-22(31)9-6-20/h5-12,18-19,23H,3-4,13-17H2,1-2H3,(H,32,40)(H,33,39)(H,34,36)
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n/an/a 7.10E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190358
PNG
(US9670202, Example01.03 4-(2-{[4-(diethylcarbamoyl...)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OC)c1
Show InChI InChI=1S/C30H35FN8O3/c1-4-36(5-2)28(40)22-8-12-25(26(18-22)42-3)33-29-34-27-13-11-24(20-39(27)35-29)37-14-16-38(17-15-37)30(41)32-19-21-6-9-23(31)10-7-21/h6-13,18,20H,4-5,14-17,19H2,1-3H3,(H,32,41)(H,33,35)
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n/an/a 7.90E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190733
PNG
(US9670202, Example01.14 4-{2-[(2-cyanophenyl)amino...)
Show SMILES Fc1ccc(CNC(=O)N2CCN(CC2)c2ccc3nc(Nc4ccccc4C#N)nn3c2)cc1
Show InChI InChI=1S/C25H23FN8O/c26-20-7-5-18(6-8-20)16-28-25(35)33-13-11-32(12-14-33)21-9-10-23-30-24(31-34(23)17-21)29-22-4-2-1-3-19(22)15-27/h1-10,17H,11-14,16H2,(H,28,35)(H,29,31)
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n/an/a 8.00E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190458
PNG
(US9670202, Example01.13 4-{2-[(2-ethoxypyridin-3-y...)
Show SMILES CCOc1ncccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C25H27FN8O2/c1-2-36-23-21(4-3-11-27-23)29-24-30-22-10-9-20(17-34(22)31-24)32-12-14-33(15-13-32)25(35)28-16-18-5-7-19(26)8-6-18/h3-11,17H,2,12-16H2,1H3,(H,28,35)(H,29,31)
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n/an/a 8.90E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190400
PNG
(US9670202, Example01.10 N-(4-fluorobenzyl)-4-(2-{[...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1)N1CCN(C)CC1
Show InChI InChI=1S/C30H36FN9O2/c1-36-11-13-37(14-12-36)24-7-9-26(27(19-24)42-2)33-29-34-28-10-8-25(21-40(28)35-29)38-15-17-39(18-16-38)30(41)32-20-22-3-5-23(31)6-4-22/h3-10,19,21H,11-18,20H2,1-2H3,(H,32,41)(H,33,35)
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n/an/a 9.20E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190360
PNG
(US9670202, Example01.05 4-(2-{[4-(diethylcarbamoyl...)
Show SMILES CCCOc1cc(ccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1)C(=O)N(CC)CC
Show InChI InChI=1S/C32H39FN8O3/c1-4-19-44-28-20-24(30(42)38(5-2)6-3)9-13-27(28)35-31-36-29-14-12-26(22-41(29)37-31)39-15-17-40(18-16-39)32(43)34-21-23-7-10-25(33)11-8-23/h7-14,20,22H,4-6,15-19,21H2,1-3H3,(H,34,43)(H,35,37)
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n/an/a 9.70E+3n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190802
PNG
(US9670202, Example04.02 N-[1-(2-{[2-ethoxy-4-(morp...)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)N1CCC(CC1)NC(=O)Cc1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H36FN7O4/c1-2-44-28-20-23(31(42)39-15-17-43-18-16-39)5-9-27(28)35-32-36-29-10-8-26(21-40(29)37-32)38-13-11-25(12-14-38)34-30(41)19-22-3-6-24(33)7-4-22/h3-10,20-21,25H,2,11-19H2,1H3,(H,34,41)(H,35,37)
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n/an/a 1.28E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190412
PNG
(US9670202, Example01.12 N-(4-fluorobenzyl)-4-{2-[(...)
Show SMILES COc1ncccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C24H25FN8O2/c1-35-22-20(3-2-10-26-22)28-23-29-21-9-8-19(16-33(21)30-23)31-11-13-32(14-12-31)24(34)27-15-17-4-6-18(25)7-5-17/h2-10,16H,11-15H2,1H3,(H,27,34)(H,28,30)
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n/an/a 1.86E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190364
PNG
(US9670202, Example01.07 4-(2-{[2-(cyclopropylmetho...)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCC2CC2)c1
Show InChI InChI=1S/C33H39FN8O3/c1-3-39(4-2)31(43)25-9-13-28(29(19-25)45-22-24-5-6-24)36-32-37-30-14-12-27(21-42(30)38-32)40-15-17-41(18-16-40)33(44)35-20-23-7-10-26(34)11-8-23/h7-14,19,21,24H,3-6,15-18,20,22H2,1-2H3,(H,35,44)(H,36,38)
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n/an/a 2.06E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190361
PNG
(US9670202, Example01.06 4-(2-{[4-(diethylcarbamoyl...)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCC(C)C)c1
Show InChI InChI=1S/C33H41FN8O3/c1-5-39(6-2)31(43)25-9-13-28(29(19-25)45-22-23(3)4)36-32-37-30-14-12-27(21-42(30)38-32)40-15-17-41(18-16-40)33(44)35-20-24-7-10-26(34)11-8-24/h7-14,19,21,23H,5-6,15-18,20,22H2,1-4H3,(H,35,44)(H,36,38)
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n/an/a 2.85E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190359
PNG
(US9670202, Example01.04 4-(2-{[2-ethoxy-4-(morphol...)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)N1CCN(CC1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C31H35FN8O4/c1-2-44-27-19-23(29(41)38-15-17-43-18-16-38)5-9-26(27)34-30-35-28-10-8-25(21-40(28)36-30)37-11-13-39(14-12-37)31(42)33-20-22-3-6-24(32)7-4-22/h3-10,19,21H,2,11-18,20H2,1H3,(H,33,42)(H,34,36)
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n/an/a 3.22E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190803
PNG
(US9670202, Example04.03 N-(1-{2-[(2-ethoxypyridin-...)
Show SMILES CCOc1ncccc1Nc1nc2ccc(cn2n1)N1CCC(CC1)NC(=O)Cc1ccc(F)cc1
Show InChI InChI=1S/C26H28FN7O2/c1-2-36-25-22(4-3-13-28-25)30-26-31-23-10-9-21(17-34(23)32-26)33-14-11-20(12-15-33)29-24(35)16-18-5-7-19(27)8-6-18/h3-10,13,17,20H,2,11-12,14-16H2,1H3,(H,29,35)(H,30,32)
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n/an/a 3.28E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190402
PNG
(US9670202, Example01.11 N-(4-fluorobenzyl)-4-(2-{[...)
Show SMILES COc1cc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)ccc1C(=O)N1CCOCC1
Show InChI InChI=1S/C30H33FN8O4/c1-42-26-18-23(6-8-25(26)28(40)37-14-16-43-17-15-37)33-29-34-27-9-7-24(20-39(27)35-29)36-10-12-38(13-11-36)30(41)32-19-21-2-4-22(31)5-3-21/h2-9,18,20H,10-17,19H2,1H3,(H,32,41)(H,33,35)
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UniProtKB/SwissProt

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n/an/a 4.56E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190804
PNG
(US9670202, Example05.01 1-(4-fluorobenzyl)-3-[1-(2...)
Show SMILES Fc1ccc(CNC(=O)NC2CCN(C2)c2ccc3nc(Nc4ccc(cc4OCC(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1
Show InChI InChI=1S/C31H32F4N8O4/c32-22-4-1-20(2-5-22)16-36-30(45)37-23-9-10-42(17-23)24-6-8-27-39-29(40-43(27)18-24)38-25-7-3-21(15-26(25)47-19-31(33,34)35)28(44)41-11-13-46-14-12-41/h1-8,15,18,23H,9-14,16-17,19H2,(H,38,40)(H2,36,37,45)
PDB
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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 4.69E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190391
PNG
(US9670202, Example01.08 4-(2-{[4-(diethylcarbamoyl...)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCN(CC2)C(=O)NCc2ccc(F)cc2)c(OCCOC)c1
Show InChI InChI=1S/C32H39FN8O4/c1-4-38(5-2)30(42)24-8-12-27(28(20-24)45-19-18-44-3)35-31-36-29-13-11-26(22-41(29)37-31)39-14-16-40(17-15-39)32(43)34-21-23-6-9-25(33)10-7-23/h6-13,20,22H,4-5,14-19,21H2,1-3H3,(H,34,43)(H,35,37)
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UniProtKB/SwissProt

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US Patent
n/an/a 5.70E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190799
PNG
(US9670202, Example03.02 N-(cyclopropylmethyl)-1-(2...)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)N1CCC(CC1)C(=O)NCC1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H37N7O4/c1-2-40-25-17-22(28(38)35-13-15-39-16-14-35)5-7-24(25)31-29-32-26-8-6-23(19-36(26)33-29)34-11-9-21(10-12-34)27(37)30-18-20-3-4-20/h5-8,17,19-21H,2-4,9-16,18H2,1H3,(H,30,37)(H,31,33)
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US Patent
n/an/a 6.78E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190741
PNG
(US9670202, Example03.01 N-(cyclopropylmethyl)-1-(2...)
Show SMILES CCNC(=O)c1ccc(Nc2nc3ccc(cn3n2)N2CCC(CC2)C(=O)NCC2CC2)c(OCC)c1
Show InChI InChI=1S/C27H35N7O3/c1-3-28-26(36)20-7-9-22(23(15-20)37-4-2)30-27-31-24-10-8-21(17-34(24)32-27)33-13-11-19(12-14-33)25(35)29-16-18-5-6-18/h7-10,15,17-19H,3-6,11-14,16H2,1-2H3,(H,28,36)(H,29,35)(H,30,32)
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n/an/a 6.88E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM190800
PNG
(US9670202, Example03.03 N-(cyclopropylmethyl)-1-(2...)
Show SMILES FC(F)(F)COc1ncccc1Nc1nc2ccc(cn2n1)N1CCC(CC1)C(=O)NCC1CC1
Show InChI InChI=1S/C23H26F3N7O2/c24-23(25,26)14-35-21-18(2-1-9-27-21)29-22-30-19-6-5-17(13-33(19)31-22)32-10-7-16(8-11-32)20(34)28-12-15-3-4-15/h1-2,5-6,9,13,15-16H,3-4,7-8,10-12,14H2,(H,28,34)(H,29,31)
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n/an/a 7.34E+4n/an/an/an/a7.7n/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 US9670202 (2017)


BindingDB Entry DOI: 10.7270/Q24Q7S5H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%