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Patent code US9555022

Compile Data Set for Download or QSAR
Found 102 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))
BDBM228277
PNG
(US9555022, Example 02.15)
Show SMILES Cc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C1=NCCO1
Show InChI InChI=1S/C30H25FN6O2/c1-19-16-22(29-32-14-15-39-29)6-12-26(19)34-30-35-27-13-7-23(18-37(27)36-30)21-4-10-25(11-5-21)33-28(38)17-20-2-8-24(31)9-3-20/h2-13,16,18H,14-15,17H2,1H3,(H,33,38)(H,34,36)
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n/an/a<1n/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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228291
PNG
(US9555022, Example 02.27)
Show SMILES OC1CN(C1)C(=O)c1ccc(Nc2nc3ccc(cn3n2)-c2ccc(NC(=O)Cc3ccc(F)cc3)cc2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C32H26F4N6O4/c33-23-7-1-19(2-8-23)13-29(44)37-24-9-3-20(4-10-24)22-6-12-28-39-31(40-42(28)15-22)38-26-11-5-21(30(45)41-16-25(43)17-41)14-27(26)46-18-32(34,35)36/h1-12,14-15,25,43H,13,16-18H2,(H,37,44)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228295
PNG
(US9555022, Example 02.30)
Show SMILES FCCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C34H30F2N6O4/c35-13-14-46-29-16-24(32(44)41-18-34(19-41)20-45-21-34)5-11-28(29)38-33-39-30-12-6-25(17-42(30)40-33)23-3-9-27(10-4-23)37-31(43)15-22-1-7-26(36)8-2-22/h1-12,16-17H,13-15,18-21H2,(H,37,43)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228320
PNG
(US9555022, Example 03.04)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCC1CC1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C32H37N7O3/c1-3-42-28-18-24(31(41)34-26-14-16-38(2)17-15-26)10-12-27(28)35-32-36-29-13-11-25(20-39(29)37-32)22-6-8-23(9-7-22)30(40)33-19-21-4-5-21/h6-13,18,20-21,26H,3-5,14-17,19H2,1-2H3,(H,33,40)(H,34,41)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228331
PNG
(US9555022, Example 04.06)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1C[C@@H]2C[C@H]1CO2
Show InChI InChI=1S/C33H29FN6O4/c1-43-29-14-23(32(42)39-18-27-15-26(39)19-44-27)8-12-28(29)36-33-37-30-13-9-24(17-40(30)38-33)21-4-6-22(7-5-21)31(41)35-16-20-2-10-25(34)11-3-20/h2-14,17,26-27H,15-16,18-19H2,1H3,(H,35,41)(H,36,38)/t26-,27-/m0/s1
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228335
PNG
(US9555022, Example 04.07)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C33H29FN6O4/c1-43-28-14-24(31(42)39-17-33(18-39)19-44-20-33)8-12-27(28)36-32-37-29-13-9-25(16-40(29)38-32)22-4-6-23(7-5-22)30(41)35-15-21-2-10-26(34)11-3-21/h2-14,16H,15,17-20H2,1H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228345
PNG
(US9555022, Example 04.15)
Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OCC(F)(F)F)C(=O)N4CC5(COC5)C4)nn3c2)cc1
Show InChI InChI=1S/C34H28F4N6O4/c35-26-9-1-21(2-10-26)14-39-30(45)23-5-3-22(4-6-23)25-8-12-29-41-32(42-44(29)15-25)40-27-11-7-24(13-28(27)48-20-34(36,37)38)31(46)43-16-33(17-43)18-47-19-33/h1-13,15H,14,16-20H2,(H,39,45)(H,40,42)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228359
PNG
(US9555022, Example 04.26)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C33H33FN6O3/c1-39-17-15-27(16-18-39)43-28-12-13-29(30(19-28)42-2)36-33-37-31-14-9-25(21-40(31)38-33)23-5-7-24(8-6-23)32(41)35-20-22-3-10-26(34)11-4-22/h3-14,19,21,27H,15-18,20H2,1-2H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228378
PNG
(US9555022, Example 07.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(C)c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H31FN6O4/c1-21-17-23(5-10-27(21)31(41)35-19-22-3-8-26(34)9-4-22)25-7-12-30-37-33(38-40(30)20-25)36-28-11-6-24(18-29(28)43-2)32(42)39-13-15-44-16-14-39/h3-12,17-18,20H,13-16,19H2,1-2H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228383
PNG
(US9555022, Example 09.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(OC)c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H31FN6O5/c1-43-28-17-22(5-10-26(28)31(41)35-19-21-3-8-25(34)9-4-21)24-7-12-30-37-33(38-40(30)20-24)36-27-11-6-23(18-29(27)44-2)32(42)39-13-15-45-16-14-39/h3-12,17-18,20H,13-16,19H2,1-2H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228262
PNG
(US9555022, Example 02.02)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H31FN6O4/c1-2-44-29-20-24(32(42)39-15-17-43-18-16-39)7-13-28(29)36-33-37-30-14-8-25(21-40(30)38-33)23-5-11-27(12-6-23)35-31(41)19-22-3-9-26(34)10-4-22/h3-14,20-21H,2,15-19H2,1H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228267
PNG
(US9555022, Example 02.06)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCNCC1
Show InChI InChI=1S/C33H32FN7O3/c1-2-44-29-20-24(32(43)40-17-15-35-16-18-40)7-13-28(29)37-33-38-30-14-8-25(21-41(30)39-33)23-5-11-27(12-6-23)36-31(42)19-22-3-9-26(34)10-4-22/h3-14,20-21,35H,2,15-19H2,1H3,(H,36,42)(H,37,39)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228297
PNG
(US9555022, Example 02.32)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4C(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1
Show InChI InChI=1S/C32H26F4N6O3/c33-24-7-1-20(2-8-24)17-29(43)37-25-9-3-21(4-10-25)23-6-12-28-39-31(40-42(28)19-23)38-27-11-5-22(18-26(27)32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,18-19H,13-17H2,(H,37,43)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228313
PNG
(US9555022, Example 02.41)
Show SMILES COc1ccc(cc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H29FN6O4/c1-42-28-12-6-23(31(41)38-14-16-43-17-15-38)19-27(28)35-32-36-29-13-7-24(20-39(29)37-32)22-4-10-26(11-5-22)34-30(40)18-21-2-8-25(33)9-3-21/h2-13,19-20H,14-18H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228314
PNG
(US9555022, Example 02.42)
Show SMILES Cc1nc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCOCC1
Show InChI InChI=1S/C30H28FN7O2/c1-20-26(11-13-27(32-20)37-14-16-40-17-15-37)34-30-35-28-12-6-23(19-38(28)36-30)22-4-9-25(10-5-22)33-29(39)18-21-2-7-24(31)8-3-21/h2-13,19H,14-18H2,1H3,(H,33,39)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228327
PNG
(US9555022, Example 04.03)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCOC1=O
Show InChI InChI=1S/C30H25FN6O4/c1-40-26-16-24(36-14-15-41-30(36)39)11-12-25(26)33-29-34-27-13-8-22(18-37(27)35-29)20-4-6-21(7-5-20)28(38)32-17-19-2-9-23(31)10-3-19/h2-13,16,18H,14-15,17H2,1H3,(H,32,38)(H,33,35)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228337
PNG
(US9555022, Example 04.09)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C32H29FN6O5S/c1-44-28-18-24(31(41)38-14-16-45(42,43)17-15-38)8-12-27(28)35-32-36-29-13-9-25(20-39(29)37-32)22-4-6-23(7-5-22)30(40)34-19-21-2-10-26(33)11-3-21/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
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n/an/a<1n/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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228338
PNG
(US9555022, Example 04.10)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C33H31FN6O4/c1-44-29-18-24(32(43)39-16-14-27(41)15-17-39)8-12-28(29)36-33-37-30-13-9-25(20-40(30)38-33)22-4-6-23(7-5-22)31(42)35-19-21-2-10-26(34)11-3-21/h2-13,18,20,27,41H,14-17,19H2,1H3,(H,35,42)(H,36,38)
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n/an/a<1n/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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228367
PNG
(US9555022, Example 04.32)
Show SMILES COc1ccc(cc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H29FN6O4/c1-42-28-12-8-24(31(41)38-14-16-43-17-15-38)18-27(28)35-32-36-29-13-9-25(20-39(29)37-32)22-4-6-23(7-5-22)30(40)34-19-21-2-10-26(33)11-3-21/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
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n/an/a<1n/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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228370
PNG
(US9555022, Example 04.35)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C31H26F2N6O3/c1-42-27-14-22(30(41)38-17-25(33)18-38)8-12-26(27)35-31-36-28-13-9-23(16-39(28)37-31)20-4-6-21(7-5-20)29(40)34-15-19-2-10-24(32)11-3-19/h2-14,16,25H,15,17-18H2,1H3,(H,34,40)(H,35,37)
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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 (...


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More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228261
PNG
(US9555022, Example 02.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H29FN6O4/c1-42-28-19-23(31(41)38-14-16-43-17-15-38)6-12-27(28)35-32-36-29-13-7-24(20-39(29)37-32)22-4-10-26(11-5-22)34-30(40)18-21-2-8-25(33)9-3-21/h2-13,19-20H,14-18H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228273
PNG
(US9555022, Example 02.11)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCOC1=O
Show InChI InChI=1S/C30H25FN6O4/c1-40-26-17-24(36-14-15-41-30(36)39)11-12-25(26)33-29-34-27-13-6-21(18-37(27)35-29)20-4-9-23(10-5-20)32-28(38)16-19-2-7-22(31)8-3-19/h2-13,17-18H,14-16H2,1H3,(H,32,38)(H,33,35)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228296
PNG
(US9555022, Example 02.31)
Show SMILES FC(F)COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H29F3N6O4/c34-25-7-1-21(2-8-25)17-31(43)37-26-9-3-22(4-10-26)24-6-12-30-39-33(40-42(30)19-24)38-27-11-5-23(18-28(27)46-20-29(35)36)32(44)41-13-15-45-16-14-41/h1-12,18-19,29H,13-17,20H2,(H,37,43)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228300
PNG
(US9555022, Example 02.34)
Show SMILES CCOc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C34H35FN6O3/c1-3-43-31-21-29(44-28-16-18-40(2)19-17-28)13-14-30(31)37-34-38-32-15-8-25(22-41(32)39-34)24-6-11-27(12-7-24)36-33(42)20-23-4-9-26(35)10-5-23/h4-15,21-22,28H,3,16-20H2,1-2H3,(H,36,42)(H,37,39)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228323
PNG
(US9555022, Example 03.06)
Show SMILES FC(F)(F)COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCC1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H29F3N6O4/c31-30(32,33)18-43-25-15-22(28(41)38-11-13-42-14-12-38)7-9-24(25)35-29-36-26-10-8-23(17-39(26)37-29)20-3-5-21(6-4-20)27(40)34-16-19-1-2-19/h3-10,15,17,19H,1-2,11-14,16,18H2,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228324
PNG
(US9555022, Example 03.07)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCC1CC1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C30H30N6O4/c1-39-25-12-22(28(38)35-15-30(16-35)17-40-18-30)8-10-24(25)32-29-33-26-11-9-23(14-36(26)34-29)20-4-6-21(7-5-20)27(37)31-13-19-2-3-19/h4-12,14,19H,2-3,13,15-18H2,1H3,(H,31,37)(H,32,34)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228330
PNG
(US9555022, Example 04.05)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C1=NCCO1
Show InChI InChI=1S/C30H25FN6O3/c1-39-26-16-22(29-32-14-15-40-29)8-12-25(26)34-30-35-27-13-9-23(18-37(27)36-30)20-4-6-21(7-5-20)28(38)33-17-19-2-10-24(31)11-3-19/h2-13,16,18H,14-15,17H2,1H3,(H,33,38)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228351
PNG
(US9555022, Example 04.19)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCN(CC1)C(C)(C)C
Show InChI InChI=1S/C35H38FN7O2/c1-35(2,3)42-19-17-41(18-20-42)29-14-15-30(31(21-29)45-4)38-34-39-32-16-11-27(23-43(32)40-34)25-7-9-26(10-8-25)33(44)37-22-24-5-12-28(36)13-6-24/h5-16,21,23H,17-20,22H2,1-4H3,(H,37,44)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228358
PNG
(US9555022, Example 04.25)
Show SMILES COc1cc(CN2CCOCC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C32H31FN6O3/c1-41-29-18-23(20-38-14-16-42-17-15-38)4-12-28(29)35-32-36-30-13-9-26(21-39(30)37-32)24-5-7-25(8-6-24)31(40)34-19-22-2-10-27(33)11-3-22/h2-13,18,21H,14-17,19-20H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228390
PNG
(US9555022, Example 13.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(nc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C32H28FN7O4/c1-43-27-12-21(30(42)39-16-32(17-39)18-44-19-32)4-9-25(27)36-31-37-28-11-6-23(15-40(28)38-31)22-5-10-26(34-14-22)29(41)35-13-20-2-7-24(33)8-3-20/h2-12,14-15H,13,16-19H2,1H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228259
PNG
(US9555022, Example 01.02)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)CC2CC2)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H32N6O4/c1-2-40-26-18-22(29(38)35-13-15-39-16-14-35)7-11-25(26)32-30-33-27-12-8-23(19-36(27)34-30)21-5-9-24(10-6-21)31-28(37)17-20-3-4-20/h5-12,18-20H,2-4,13-17H2,1H3,(H,31,37)(H,32,34)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228266
PNG
(US9555022, Example 02.05)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCN(CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C38H40FN7O5/c1-5-50-32-23-27(35(48)44-18-20-45(21-19-44)37(49)51-38(2,3)4)10-16-31(32)41-36-42-33-17-11-28(24-46(33)43-36)26-8-14-30(15-9-26)40-34(47)22-25-6-12-29(39)13-7-25/h6-17,23-24H,5,18-22H2,1-4H3,(H,40,47)(H,41,43)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228268
PNG
(US9555022, Example 02.07)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCN(CC2CC2)CC1
Show InChI InChI=1S/C37H38FN7O3/c1-2-48-33-22-28(36(47)44-19-17-43(18-20-44)23-26-3-4-26)9-15-32(33)40-37-41-34-16-10-29(24-45(34)42-37)27-7-13-31(14-8-27)39-35(46)21-25-5-11-30(38)12-6-25/h5-16,22,24,26H,2-4,17-21,23H2,1H3,(H,39,46)(H,40,42)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228270
PNG
(US9555022, Example 02.09)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OCC(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1
Show InChI InChI=1S/C33H28F4N6O4/c34-25-7-1-21(2-8-25)17-30(44)38-26-9-3-22(4-10-26)24-6-12-29-40-32(41-43(29)19-24)39-27-11-5-23(18-28(27)47-20-33(35,36)37)31(45)42-13-15-46-16-14-42/h1-12,18-19H,13-17,20H2,(H,38,44)(H,39,41)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228288
PNG
(US9555022, Example 02.24)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC(O)C1
Show InChI InChI=1S/C32H29FN6O4/c1-2-43-28-16-22(31(42)38-18-26(40)19-38)7-13-27(28)35-32-36-29-14-8-23(17-39(29)37-32)21-5-11-25(12-6-21)34-30(41)15-20-3-9-24(33)10-4-20/h3-14,16-17,26,40H,2,15,18-19H2,1H3,(H,34,41)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228290
PNG
(US9555022, Example 02.26)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OCC(F)(F)F)C(=O)N4CC5(COC5)C4)nn3c2)cc1
Show InChI InChI=1S/C34H28F4N6O4/c35-25-7-1-21(2-8-25)13-30(45)39-26-9-3-22(4-10-26)24-6-12-29-41-32(42-44(29)15-24)40-27-11-5-23(14-28(27)48-20-34(36,37)38)31(46)43-16-33(17-43)18-47-19-33/h1-12,14-15H,13,16-20H2,(H,39,45)(H,40,42)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228269
PNG
(US9555022, Example 02.08 | US9555022, Example 02.2...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCN(C)CC1
Show InChI InChI=1S/C32H32FN7O2/c1-38-15-17-39(18-16-38)27-12-13-28(29(20-27)42-2)35-32-36-30-14-7-24(21-40(30)37-32)23-5-10-26(11-6-23)34-31(41)19-22-3-8-25(33)9-4-22/h3-14,20-21H,15-19H2,1-2H3,(H,34,41)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228315
PNG
(US9555022, Example 02.43)
Show SMILES Cc1nc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCCC1
Show InChI InChI=1S/C30H28FN7O/c1-20-26(13-15-27(32-20)37-16-2-3-17-37)34-30-35-28-14-8-23(19-38(28)36-30)22-6-11-25(12-7-22)33-29(39)18-21-4-9-24(31)10-5-21/h4-15,19H,2-3,16-18H2,1H3,(H,33,39)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228344
PNG
(US9555022, Example 04.14)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC(O)C1
Show InChI InChI=1S/C32H29FN6O4/c1-2-43-28-15-23(31(42)38-18-26(40)19-38)9-13-27(28)35-32-36-29-14-10-24(17-39(29)37-32)21-5-7-22(8-6-21)30(41)34-16-20-3-11-25(33)12-4-20/h3-15,17,26,40H,2,16,18-19H2,1H3,(H,34,41)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228352
PNG
(US9555022, Example 04.20)
Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4F)C(=O)N4CC5(COC5)C4)nn3c2)cc1
Show InChI InChI=1S/C32H26F2N6O3/c33-25-9-1-20(2-10-25)14-35-29(41)22-5-3-21(4-6-22)24-8-12-28-37-31(38-40(28)15-24)36-27-11-7-23(13-26(27)34)30(42)39-16-32(17-39)18-43-19-32/h1-13,15H,14,16-19H2,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228353
PNG
(US9555022, Example 04.21)
Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4F)C(=O)N4CCOCC4)nn3c2)cc1
Show InChI InChI=1S/C31H26F2N6O3/c32-25-9-1-20(2-10-25)18-34-29(40)22-5-3-21(4-6-22)24-8-12-28-36-31(37-39(28)19-24)35-27-11-7-23(17-26(27)33)30(41)38-13-15-42-16-14-38/h1-12,17,19H,13-16,18H2,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228356
PNG
(US9555022, Example 04.23)
Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4C(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1
Show InChI InChI=1S/C32H26F4N6O3/c33-25-9-1-20(2-10-25)18-37-29(43)22-5-3-21(4-6-22)24-8-12-28-39-31(40-42(28)19-24)38-27-11-7-23(17-26(27)32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,17,19H,13-16,18H2,(H,37,43)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228360
PNG
(US9555022, Example 04.27)
Show SMILES CSc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C33H33FN6O2S/c1-39-17-15-27(16-18-39)42-28-12-13-29(30(19-28)43-2)36-33-37-31-14-9-25(21-40(31)38-33)23-5-7-24(8-6-23)32(41)35-20-22-3-10-26(34)11-4-22/h3-14,19,21,27H,15-18,20H2,1-2H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228362
PNG
(US9555022, Example 04.28)
Show SMILES Cc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C33H29FN6O3/c1-21-14-25(31(42)39-17-33(18-39)19-43-20-33)8-12-28(21)36-32-37-29-13-9-26(16-40(29)38-32)23-4-6-24(7-5-23)30(41)35-15-22-2-10-27(34)11-3-22/h2-14,16H,15,17-20H2,1H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228274
PNG
(US9555022, Example 02.12)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCOC1=O
Show InChI InChI=1S/C31H27FN6O4/c1-2-41-27-18-25(37-15-16-42-31(37)40)12-13-26(27)34-30-35-28-14-7-22(19-38(28)36-30)21-5-10-24(11-6-21)33-29(39)17-20-3-8-23(32)9-4-20/h3-14,18-19H,2,15-17H2,1H3,(H,33,39)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228280
PNG
(US9555022, Example 02.18)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCS(=O)(=O)CC1
Show InChI InChI=1S/C32H29FN6O5S/c1-44-28-19-23(31(41)38-14-16-45(42,43)17-15-38)6-12-27(28)35-32-36-29-13-7-24(20-39(29)37-32)22-4-10-26(11-5-22)34-30(40)18-21-2-8-25(33)9-3-21/h2-13,19-20H,14-18H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228282
PNG
(US9555022, Example 02.19)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC(O)C1
Show InChI InChI=1S/C31H27FN6O4/c1-42-27-15-21(30(41)37-17-25(39)18-37)6-12-26(27)34-31-35-28-13-7-22(16-38(28)36-31)20-4-10-24(11-5-20)33-29(40)14-19-2-8-23(32)9-3-19/h2-13,15-16,25,39H,14,17-18H2,1H3,(H,33,40)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228286
PNG
(US9555022, Example 02.22)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCC1
Show InChI InChI=1S/C31H27FN6O3/c1-41-27-18-22(30(40)37-15-2-16-37)7-13-26(27)34-31-35-28-14-8-23(19-38(28)36-31)21-5-11-25(12-6-21)33-29(39)17-20-3-9-24(32)10-4-20/h3-14,18-19H,2,15-17H2,1H3,(H,33,39)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228304
PNG
(US9555022, Example 02.36)
Show SMILES CSc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H33FN6O2S/c1-39-17-15-27(16-18-39)42-28-12-13-29(30(20-28)43-2)36-33-37-31-14-7-24(21-40(31)38-33)23-5-10-26(11-6-23)35-32(41)19-22-3-8-25(34)9-4-22/h3-14,20-21,27H,15-19H2,1-2H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228305
PNG
(US9555022, Example 02.37)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)S(=O)(=O)N1CCOCC1
Show InChI InChI=1S/C31H29FN6O5S/c1-42-28-19-26(44(40,41)37-14-16-43-17-15-37)11-12-27(28)34-31-35-29-13-6-23(20-38(29)36-31)22-4-9-25(10-5-22)33-30(39)18-21-2-7-24(32)8-3-21/h2-13,19-20H,14-18H2,1H3,(H,33,39)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228308
PNG
(US9555022, Example 02.39)
Show SMILES Cc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H29FN6O3/c1-21-18-24(31(41)38-14-16-42-17-15-38)6-12-28(21)35-32-36-29-13-7-25(20-39(29)37-32)23-4-10-27(11-5-23)34-30(40)19-22-2-8-26(33)9-3-22/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228326
PNG
(US9555022, Example 04.02)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H31FN6O4/c1-2-44-29-19-25(32(42)39-15-17-43-18-16-39)9-13-28(29)36-33-37-30-14-10-26(21-40(30)38-33)23-5-7-24(8-6-23)31(41)35-20-22-3-11-27(34)12-4-22/h3-14,19,21H,2,15-18,20H2,1H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228341
PNG
(US9555022, Example 04.12)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C34H31FN6O4/c1-2-45-29-15-25(32(43)40-18-34(19-40)20-44-21-34)9-13-28(29)37-33-38-30-14-10-26(17-41(30)39-33)23-5-7-24(8-6-23)31(42)36-16-22-3-11-27(35)12-4-22/h3-15,17H,2,16,18-21H2,1H3,(H,36,42)(H,37,39)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228354
PNG
(US9555022, Example 04.22)
Show SMILES FC(F)COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H29F3N6O4/c34-26-9-1-21(2-10-26)18-37-31(43)23-5-3-22(4-6-23)25-8-12-30-39-33(40-42(30)19-25)38-27-11-7-24(17-28(27)46-20-29(35)36)32(44)41-13-15-45-16-14-41/h1-12,17,19,29H,13-16,18,20H2,(H,37,43)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228368
PNG
(US9555022, Example 04.33)
Show SMILES Cc1nc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCOCC1
Show InChI InChI=1S/C30H28FN7O2/c1-20-26(11-13-27(33-20)37-14-16-40-17-15-37)34-30-35-28-12-8-24(19-38(28)36-30)22-4-6-23(7-5-22)29(39)32-18-21-2-9-25(31)10-3-21/h2-13,19H,14-18H2,1H3,(H,32,39)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228373
PNG
(US9555022, Example 06.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(F)c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H28F2N6O4/c1-43-28-17-22(31(42)39-12-14-44-15-13-39)5-10-27(28)36-32-37-29-11-6-23(19-40(29)38-32)21-4-9-25(26(34)16-21)30(41)35-18-20-2-7-24(33)8-3-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228272
PNG
(US9555022, Example 02.10)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OC(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1
Show InChI InChI=1S/C32H26F4N6O4/c33-24-7-1-20(2-8-24)17-29(43)37-25-9-3-21(4-10-25)23-6-12-28-39-31(40-42(28)19-23)38-26-11-5-22(18-27(26)46-32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,18-19H,13-17H2,(H,37,43)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228275
PNG
(US9555022, Example 02.13)
Show SMILES Cc1cc(ncc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCOC1=O
Show InChI InChI=1S/C29H24FN7O3/c1-18-14-26(36-12-13-40-29(36)39)31-16-24(18)33-28-34-25-11-6-21(17-37(25)35-28)20-4-9-23(10-5-20)32-27(38)15-19-2-7-22(30)8-3-19/h2-11,14,16-17H,12-13,15H2,1H3,(H,32,38)(H,33,35)
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Bayer Intellectual Property GmbH

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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228276
PNG
(US9555022, Example 02.14)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C1=NCCO1
Show InChI InChI=1S/C30H25FN6O3/c1-39-26-17-21(29-32-14-15-40-29)6-12-25(26)34-30-35-27-13-7-22(18-37(27)36-30)20-4-10-24(11-5-20)33-28(38)16-19-2-8-23(31)9-3-19/h2-13,17-18H,14-16H2,1H3,(H,33,38)(H,34,36)
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Bayer Intellectual Property GmbH

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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228279
PNG
(US9555022, Example 02.17)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C33H29FN6O4/c1-43-28-15-23(31(42)39-17-33(18-39)19-44-20-33)6-12-27(28)36-32-37-29-13-7-24(16-40(29)38-32)22-4-10-26(11-5-22)35-30(41)14-21-2-8-25(34)9-3-21/h2-13,15-16H,14,17-20H2,1H3,(H,35,41)(H,36,38)
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Bayer Intellectual Property GmbH

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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228287
PNG
(US9555022, Example 02.23)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C34H31FN6O4/c1-2-45-29-16-24(32(43)40-18-34(19-40)20-44-21-34)7-13-28(29)37-33-38-30-14-8-25(17-41(30)39-33)23-5-11-27(12-6-23)36-31(42)15-22-3-9-26(35)10-4-22/h3-14,16-17H,2,15,18-21H2,1H3,(H,36,42)(H,37,39)
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Bayer Intellectual Property GmbH

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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228293
PNG
(US9555022, Example 02.29)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4)C(=O)N4CCOCC4)nn3c2)cc1
Show InChI InChI=1S/C31H27FN6O3/c32-25-8-1-21(2-9-25)19-29(39)33-26-10-3-22(4-11-26)24-7-14-28-35-31(36-38(28)20-24)34-27-12-5-23(6-13-27)30(40)37-15-17-41-18-16-37/h1-14,20H,15-19H2,(H,33,39)(H,34,36)
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Bayer Intellectual Property GmbH

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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228306
PNG
(US9555022, Example 02.38)
Show SMILES Cc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC2(COC2)C1
Show InChI InChI=1S/C33H29FN6O3/c1-21-14-24(31(42)39-17-33(18-39)19-43-20-33)6-12-28(21)36-32-37-29-13-7-25(16-40(29)38-32)23-4-10-27(11-5-23)35-30(41)15-22-2-8-26(34)9-3-22/h2-14,16H,15,17-20H2,1H3,(H,35,41)(H,36,38)
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Bayer Intellectual Property GmbH

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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228318
PNG
(US9555022, Example 03.02)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCC1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C30H32N6O4/c1-2-40-26-17-23(29(38)35-13-15-39-16-14-35)9-11-25(26)32-30-33-27-12-10-24(19-36(27)34-30)21-5-7-22(8-6-21)28(37)31-18-20-3-4-20/h5-12,17,19-20H,2-4,13-16,18H2,1H3,(H,31,37)(H,32,34)
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Bayer Intellectual Property GmbH

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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228329
PNG
(US9555022, Example 04.04)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCOC1=O
Show InChI InChI=1S/C31H27FN6O4/c1-2-41-27-17-25(37-15-16-42-31(37)40)12-13-26(27)34-30-35-28-14-9-23(19-38(28)36-30)21-5-7-22(8-6-21)29(39)33-18-20-3-10-24(32)11-4-20/h3-14,17,19H,2,15-16,18H2,1H3,(H,33,39)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228343
PNG
(US9555022, Example 04.13)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCN(CC1)C(C)=O
Show InChI InChI=1S/C35H34FN7O4/c1-3-47-31-20-27(34(46)42-18-16-41(17-19-42)23(2)44)10-14-30(31)38-35-39-32-15-11-28(22-43(32)40-35)25-6-8-26(9-7-25)33(45)37-21-24-4-12-29(36)13-5-24/h4-15,20,22H,3,16-19,21H2,1-2H3,(H,37,45)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228365
PNG
(US9555022, Example 04.30)
Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OC(F)(F)F)C(=O)N4CC5(COC5)C4)nn3c2)cc1
Show InChI InChI=1S/C33H26F4N6O4/c34-25-9-1-20(2-10-25)14-38-29(44)22-5-3-21(4-6-22)24-8-12-28-40-31(41-43(28)15-24)39-26-11-7-23(13-27(26)47-33(35,36)37)30(45)42-16-32(17-42)18-46-19-32/h1-13,15H,14,16-19H2,(H,38,44)(H,39,41)
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Bayer Intellectual Property GmbH

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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228366
PNG
(US9555022, Example 04.31)
Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OC(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1
Show InChI InChI=1S/C32H26F4N6O4/c33-25-9-1-20(2-10-25)18-37-29(43)22-5-3-21(4-6-22)24-8-12-28-39-31(40-42(28)19-24)38-26-11-7-23(17-27(26)46-32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,17,19H,13-16,18H2,(H,37,43)(H,38,40)
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Bayer Intellectual Property GmbH

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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228369
PNG
(US9555022, Example 04.34)
Show SMILES Cc1nc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCCC1
Show InChI InChI=1S/C30H28FN7O/c1-20-26(13-15-27(33-20)37-16-2-3-17-37)34-30-35-28-14-10-24(19-38(28)36-30)22-6-8-23(9-7-22)29(39)32-18-21-4-11-25(31)12-5-21/h4-15,19H,2-3,16-18H2,1H3,(H,32,39)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228371
PNG
(US9555022, Example 05.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(Cl)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H29ClN6O4/c1-42-28-18-24(31(41)38-14-16-43-17-15-38)8-12-27(28)35-32-36-29-13-9-25(20-39(29)37-32)22-4-6-23(7-5-22)30(40)34-19-21-2-10-26(33)11-3-21/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228372
PNG
(US9555022, Example 05.02)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(C)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C33H32N6O4/c1-22-3-5-23(6-4-22)20-34-31(40)25-9-7-24(8-10-25)27-12-14-30-36-33(37-39(30)21-27)35-28-13-11-26(19-29(28)42-2)32(41)38-15-17-43-18-16-38/h3-14,19,21H,15-18,20H2,1-2H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228388
PNG
(US9555022, Example 12.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2F)c(C)c1)N1CCOC1=O
Show InChI InChI=1S/C31H26F2N6O4/c1-18-13-19(4-8-24(18)29(40)34-16-20-3-6-22(32)14-25(20)33)21-5-10-28-36-30(37-39(28)17-21)35-26-9-7-23(15-27(26)42-2)38-11-12-43-31(38)41/h3-10,13-15,17H,11-12,16H2,1-2H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228285
PNG
(US9555022, Example 02.21)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)NC1COC1
Show InChI InChI=1S/C31H27FN6O4/c1-41-27-15-21(30(40)34-25-17-42-18-25)6-12-26(27)35-31-36-28-13-7-22(16-38(28)37-31)20-4-10-24(11-5-20)33-29(39)14-19-2-8-23(32)9-3-19/h2-13,15-16,25H,14,17-18H2,1H3,(H,33,39)(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228299
PNG
(US9555022, Example 02.33)
Show SMILES COc1cc(CN2CCOCC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C32H31FN6O3/c1-41-29-18-23(20-38-14-16-42-17-15-38)4-12-28(29)35-32-36-30-13-7-25(21-39(30)37-32)24-5-10-27(11-6-24)34-31(40)19-22-2-8-26(33)9-3-22/h2-13,18,21H,14-17,19-20H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228312
PNG
(US9555022, Example 02.40)
Show SMILES Fc1ccc(CC(=O)Nc2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OC(F)(F)F)C(=O)N4CC5(COC5)C4)nn3c2)cc1
Show InChI InChI=1S/C33H26F4N6O4/c34-24-7-1-20(2-8-24)13-29(44)38-25-9-3-21(4-10-25)23-6-12-28-40-31(41-43(28)15-23)39-26-11-5-22(14-27(26)47-33(35,36)37)30(45)42-16-32(17-42)18-46-19-32/h1-12,14-15H,13,16-19H2,(H,38,44)(H,39,41)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228316
PNG
(US9555022, Example 02.44)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CC(F)C1
Show InChI InChI=1S/C31H26F2N6O3/c1-42-27-15-21(30(41)38-17-24(33)18-38)6-12-26(27)35-31-36-28-13-7-22(16-39(28)37-31)20-4-10-25(11-5-20)34-29(40)14-19-2-8-23(32)9-3-19/h2-13,15-16,24H,14,17-18H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228336
PNG
(US9555022, Example 04.08)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CC(O)C1
Show InChI InChI=1S/C31H27FN6O4/c1-42-27-14-22(30(41)37-17-25(39)18-37)8-12-26(27)34-31-35-28-13-9-23(16-38(28)36-31)20-4-6-21(7-5-20)29(40)33-15-19-2-10-24(32)11-3-19/h2-14,16,25,39H,15,17-18H2,1H3,(H,33,40)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228339
PNG
(US9555022, Example 04.11)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)NC1COC1
Show InChI InChI=1S/C31H27FN6O4/c1-41-27-14-22(30(40)34-25-17-42-18-25)8-12-26(27)35-31-36-28-13-9-23(16-38(28)37-31)20-4-6-21(7-5-20)29(39)33-15-19-2-10-24(32)11-3-19/h2-14,16,25H,15,17-18H2,1H3,(H,33,39)(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228350
PNG
(US9555022, Example 04.18)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)N1CCN(C)CC1
Show InChI InChI=1S/C32H32FN7O2/c1-38-15-17-39(18-16-38)27-12-13-28(29(19-27)42-2)35-32-36-30-14-9-25(21-40(30)37-32)23-5-7-24(8-6-23)31(41)34-20-22-3-10-26(33)11-4-22/h3-14,19,21H,15-18,20H2,1-2H3,(H,34,41)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228381
PNG
(US9555022, Example 08.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(Cl)c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H28ClFN6O4/c1-43-28-17-22(31(42)39-12-14-44-15-13-39)5-10-27(28)36-32-37-29-11-6-23(19-40(29)38-32)21-4-9-25(26(33)16-21)30(41)35-18-20-2-7-24(34)8-3-20/h2-11,16-17,19H,12-15,18H2,1H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228385
PNG
(US9555022, Example 10.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)c(F)c1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H28F2N6O4/c1-43-28-18-22(31(42)39-12-14-44-15-13-39)5-10-27(28)36-32-37-29-11-6-23(19-40(29)38-32)21-4-9-26(25(34)17-21)35-30(41)16-20-2-7-24(33)8-3-20/h2-11,17-19H,12-16H2,1H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228265
PNG
(US9555022, Example 02.04)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCN(C)CC1
Show InChI InChI=1S/C33H32FN7O3/c1-39-15-17-40(18-16-39)32(43)24-7-13-28(29(20-24)44-2)36-33-37-30-14-8-25(21-41(30)38-33)23-5-11-27(12-6-23)35-31(42)19-22-3-9-26(34)10-4-22/h3-14,20-21H,15-19H2,1-2H3,(H,35,42)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228278
PNG
(US9555022, Example 02.16)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1C[C@@H]2C[C@H]1CO2
Show InChI InChI=1S/C33H29FN6O4/c1-43-29-15-22(32(42)39-18-27-16-26(39)19-44-27)6-12-28(29)36-33-37-30-13-7-23(17-40(30)38-33)21-4-10-25(11-5-21)35-31(41)14-20-2-8-24(34)9-3-20/h2-13,15,17,26-27H,14,16,18-19H2,1H3,(H,35,41)(H,36,38)/t26-,27-/m0/s1
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228284
PNG
(US9555022, Example 02.20)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C33H31FN6O4/c1-44-29-19-23(32(43)39-16-14-27(41)15-17-39)6-12-28(29)36-33-37-30-13-7-24(20-40(30)38-33)22-4-10-26(11-5-22)35-31(42)18-21-2-8-25(34)9-3-21/h2-13,19-20,27,41H,14-18H2,1H3,(H,35,42)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228289
PNG
(US9555022, Example 02.25)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C(=O)NC1CCN(C)CC1
Show InChI InChI=1S/C35H36FN7O3/c1-3-46-31-21-25(34(45)38-29-16-18-42(2)19-17-29)8-14-30(31)39-35-40-32-15-9-26(22-43(32)41-35)24-6-12-28(13-7-24)37-33(44)20-23-4-10-27(36)11-5-23/h4-15,21-22,29H,3,16-20H2,1-2H3,(H,37,44)(H,38,45)(H,39,41)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228303
PNG
(US9555022, Example 02.35)
Show SMILES COc1cc(OC2CCN(C)CC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1
Show InChI InChI=1S/C33H33FN6O3/c1-39-17-15-27(16-18-39)43-28-12-13-29(30(20-28)42-2)36-33-37-31-14-7-24(21-40(31)38-33)23-5-10-26(11-6-23)35-32(41)19-22-3-8-25(34)9-4-22/h3-14,20-21,27H,15-19H2,1-2H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228325
PNG
(US9555022, Example 04.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H29FN6O4/c1-42-28-18-24(31(41)38-14-16-43-17-15-38)8-12-27(28)35-32-36-29-13-9-25(20-39(29)37-32)22-4-6-23(7-5-22)30(40)34-19-21-2-10-26(33)11-3-21/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228346
PNG
(US9555022, Example 04.16)
Show SMILES OC1CN(C1)C(=O)c1ccc(Nc2nc3ccc(cn3n2)-c2ccc(cc2)C(=O)NCc2ccc(F)cc2)c(OCC(F)(F)F)c1
Show InChI InChI=1S/C32H26F4N6O4/c33-24-9-1-19(2-10-24)14-37-29(44)21-5-3-20(4-6-21)23-8-12-28-39-31(40-42(28)15-23)38-26-11-7-22(30(45)41-16-25(43)17-41)13-27(26)46-18-32(34,35)36/h1-13,15,25,43H,14,16-18H2,(H,37,44)(H,38,40)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228348
PNG
(US9555022, Example 04.17)
Show SMILES Fc1ccc(CNC(=O)c2ccc(cc2)-c2ccc3nc(Nc4ccc(cc4OCC(F)(F)F)C(=O)N4CCOCC4)nn3c2)cc1
Show InChI InChI=1S/C33H28F4N6O4/c34-26-9-1-21(2-10-26)18-38-30(44)23-5-3-22(4-6-23)25-8-12-29-40-32(41-43(29)19-25)39-27-11-7-24(17-28(27)47-20-33(35,36)37)31(45)42-13-15-46-16-14-42/h1-12,17,19H,13-16,18,20H2,(H,38,44)(H,39,41)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228357
PNG
(US9555022, Example 04.24)
Show SMILES COc1cc(CN2CCN(C)CC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1
Show InChI InChI=1S/C33H34FN7O2/c1-39-15-17-40(18-16-39)21-24-5-13-29(30(19-24)43-2)36-33-37-31-14-10-27(22-41(31)38-33)25-6-8-26(9-7-25)32(42)35-20-23-3-11-28(34)12-4-23/h3-14,19,22H,15-18,20-21H2,1-2H3,(H,35,42)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228363
PNG
(US9555022, Example 04.29)
Show SMILES Cc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H29FN6O3/c1-21-18-25(31(41)38-14-16-42-17-15-38)8-12-28(21)35-32-36-29-13-9-26(20-39(29)37-32)23-4-6-24(7-5-23)30(40)34-19-22-2-10-27(33)11-3-22/h2-13,18,20H,14-17,19H2,1H3,(H,34,40)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228377
PNG
(US9555022, Example 06.02)
Show SMILES COc1cc(CN2CCOCC2)ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(F)c1
Show InChI InChI=1S/C32H30F2N6O3/c1-42-29-16-22(19-39-12-14-43-15-13-39)4-10-28(29)36-32-37-30-11-6-24(20-40(30)38-32)23-5-9-26(27(34)17-23)31(41)35-18-21-2-7-25(33)8-3-21/h2-11,16-17,20H,12-15,18-19H2,1H3,(H,35,41)(H,36,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228387
PNG
(US9555022, Example 11.02)
Show SMILES CCOc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)nc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C32H30FN7O4/c1-2-44-27-18-22(31(42)39-13-15-43-16-14-39)5-10-26(27)35-32-37-29-12-7-24(20-40(29)38-32)23-6-11-28(34-19-23)36-30(41)17-21-3-8-25(33)9-4-21/h3-12,18-20H,2,13-17H2,1H3,(H,35,38)(H,34,36,41)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228263
PNG
(US9555022, Example 02.03)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)C1=NC(C)(C)CO1
Show InChI InChI=1S/C32H29FN6O3/c1-32(2)19-42-30(37-32)22-8-14-26(27(17-22)41-3)35-31-36-28-15-9-23(18-39(28)38-31)21-6-12-25(13-7-21)34-29(40)16-20-4-10-24(33)11-5-20/h4-15,17-18H,16,19H2,1-3H3,(H,34,40)(H,35,38)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228269
PNG
(US9555022, Example 02.08 | US9555022, Example 02.2...)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)cc1)N1CCN(C)CC1
Show InChI InChI=1S/C32H32FN7O2/c1-38-15-17-39(18-16-38)27-12-13-28(29(20-27)42-2)35-32-36-30-14-7-24(21-40(30)37-32)23-5-10-26(11-6-23)34-31(41)19-22-3-8-25(33)9-4-22/h3-14,20-21H,15-19H2,1-2H3,(H,34,41)(H,35,37)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228380
PNG
(US9555022, Example 07.02)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(C(=O)NCc2ccc(F)cc2)c(C)c1)N1CCOC1=O
Show InChI InChI=1S/C31H27FN6O4/c1-19-15-21(5-10-25(19)29(39)33-17-20-3-7-23(32)8-4-20)22-6-12-28-35-30(36-38(28)18-22)34-26-11-9-24(16-27(26)41-2)37-13-14-42-31(37)40/h3-12,15-16,18H,13-14,17H2,1-2H3,(H,33,39)(H,34,36)
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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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228386
PNG
(US9555022, Example 11.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)Cc2ccc(F)cc2)nc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C31H28FN7O4/c1-42-26-17-21(30(41)38-12-14-43-15-13-38)4-9-25(26)34-31-36-28-11-6-23(19-39(28)37-31)22-5-10-27(33-18-22)35-29(40)16-20-2-7-24(32)8-3-20/h2-11,17-19H,12-16H2,1H3,(H,34,37)(H,33,35,40)
PDB
MMDB

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UniProtKB/SwissProt

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PC sid
UniChem
US Patent
n/an/a 1.62n/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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228317
PNG
(US9555022, Example 03.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCC1CC1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H30N6O4/c1-38-25-16-22(28(37)34-12-14-39-15-13-34)8-10-24(25)31-29-32-26-11-9-23(18-35(26)33-29)20-4-6-21(7-5-20)27(36)30-17-19-2-3-19/h4-11,16,18-19H,2-3,12-15,17H2,1H3,(H,30,36)(H,31,33)
PDB
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US Patent
n/an/a 2.71n/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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228319
PNG
(US9555022, Example 03.03)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCC1CC1)C1=NC(C)(C)CO1
Show InChI InChI=1S/C29H30N6O3/c1-29(2)17-38-27(33-29)21-10-12-23(24(14-21)37-3)31-28-32-25-13-11-22(16-35(25)34-28)19-6-8-20(9-7-19)26(36)30-15-18-4-5-18/h6-14,16,18H,4-5,15,17H2,1-3H3,(H,30,36)(H,31,34)
PDB
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n/an/a 5.51n/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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228258
PNG
(US9555022, Example 01.01)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)CC2CC2)cc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C29H30N6O4/c1-38-25-17-21(28(37)34-12-14-39-15-13-34)6-10-24(25)31-29-32-26-11-7-22(18-35(26)33-29)20-4-8-23(9-5-20)30-27(36)16-19-2-3-19/h4-11,17-19H,2-3,12-16H2,1H3,(H,30,36)(H,31,33)
PDB
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US Patent
n/an/a 5.56n/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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228260
PNG
(US9555022, Example 01.03)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(NC(=O)CC2CC2)cc1)N1CCN(C)CC1
Show InChI InChI=1S/C29H33N7O2/c1-34-13-15-35(16-14-34)24-10-11-25(26(18-24)38-2)31-29-32-27-12-7-22(19-36(27)33-29)21-5-8-23(9-6-21)30-28(37)17-20-3-4-20/h5-12,18-20H,3-4,13-17H2,1-2H3,(H,30,37)(H,31,33)
PDB
MMDB

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UniProtKB/SwissProt

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US Patent
n/an/a 6.02n/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 (...


Citation and Details
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM228321
PNG
(US9555022, Example 03.05)
Show SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCC1CC1)N1CCN(C)CC1
Show InChI InChI=1S/C29H33N7O2/c1-34-13-15-35(16-14-34)24-10-11-25(26(17-24)38-2)31-29-32-27-12-9-23(19-36(27)33-29)21-5-7-22(8-6-21)28(37)30-18-20-3-4-20/h5-12,17,19-20H,3-4,13-16,18H2,1-2H3,(H,30,37)(H,31,33)
PDB
MMDB

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UniProtKB/SwissProt

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UniChem
US Patent
n/an/a 6.33n/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 (...


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