BindingDB logo
myBDB logout

Patent code US9388140

Compile Data Set for Download or QSAR
Found 120 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))
BDBM236661
PNG
(US9388140, 2)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccncc1
Show InChI InChI=1S/C26H24F3N5O/c1-16-12-20(4-5-21(16)25(35)33-19-2-3-19)34-15-32-24-22(31-11-8-26(27,28)29)13-18(14-23(24)34)17-6-9-30-10-7-17/h4-7,9-10,12-15,19,31H,2-3,8,11H2,1H3,(H,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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))
BDBM236713
PNG
(US9388140, 54)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3O)cc12
Show InChI InChI=1S/C27H25F3N4O3/c1-16-12-18(8-9-20(16)26(36)33-17-6-7-17)34-15-32-25-21(31-11-10-27(28,29)30)13-19(14-22(25)34)37-24-5-3-2-4-23(24)35/h2-5,8-9,12-15,17,31,35H,6-7,10-11H2,1H3,(H,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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))
BDBM236684
PNG
(US9388140, 25)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C30H30F2N4O3/c1-18-13-21(7-8-23(18)30(37)35-20-5-6-20)36-17-34-29-25(33-16-19-9-11-38-12-10-19)14-22(15-26(29)36)39-27-4-2-3-24(31)28(27)32/h2-4,7-8,13-15,17,19-20,33H,5-6,9-12,16H2,1H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.200n/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))
BDBM236715
PNG
(US9388140, 56)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3O)cc12
Show InChI InChI=1S/C25H23F3N4O3/c1-15-11-16(7-8-18(15)24(34)29-2)32-14-31-23-19(30-10-9-25(26,27)28)12-17(13-20(23)32)35-22-6-4-3-5-21(22)33/h3-8,11-14,30,33H,9-10H2,1-2H3,(H,29,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.300n/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))
BDBM236673
PNG
(BDBM236695 | US9388140, 14)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C27H23F5N4O2/c1-15-11-17(7-8-19(15)26(37)35-16-5-6-16)36-14-34-25-21(33-10-9-27(30,31)32)12-18(13-22(25)36)38-23-4-2-3-20(28)24(23)29/h2-4,7-8,11-14,16,33H,5-6,9-10H2,1H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM236747
PNG
(US9388140, 91)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3O)cc12
Show InChI InChI=1S/C27H24F4N4O3/c1-15-11-17(7-8-19(15)26(37)34-16-5-6-16)35-14-33-24-21(32-10-9-27(29,30)31)12-18(13-22(24)35)38-23-4-2-3-20(28)25(23)36/h2-4,7-8,11-14,16,32,36H,5-6,9-10H2,1H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM236668
PNG
(US9388140, 9)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3cccc(F)c3)cc12
Show InChI InChI=1S/C30H31FN4O3/c1-19-13-23(7-8-26(19)30(36)34-22-5-6-22)35-18-33-29-27(32-17-20-9-11-37-12-10-20)15-25(16-28(29)35)38-24-4-2-3-21(31)14-24/h2-4,7-8,13-16,18,20,22,32H,5-6,9-12,17H2,1H3,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM236683
PNG
(BDBM236703 | US9388140, 24)
Show SMILES COc1ccc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F
Show InChI InChI=1S/C31H33FN4O4/c1-19-13-22(5-7-25(19)31(37)35-21-3-4-21)36-18-34-30-27(33-17-20-9-11-39-12-10-20)15-24(16-28(30)36)40-23-6-8-29(38-2)26(32)14-23/h5-8,13-16,18,20-21,33H,3-4,9-12,17H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM236697
PNG
(US9388140, 38)
Show SMILES COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(cc4)C(=O)NC4CC4)c3c2)cc1F
Show InChI InChI=1S/C27H24F4N4O3/c1-37-24-9-8-19(12-21(24)28)38-20-13-22(32-11-10-27(29,30)31)25-23(14-20)35(15-33-25)18-6-2-16(3-7-18)26(36)34-17-4-5-17/h2-3,6-9,12-15,17,32H,4-5,10-11H2,1H3,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.400n/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))
BDBM236673
PNG
(BDBM236695 | US9388140, 14)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C27H23F5N4O2/c1-15-11-17(7-8-19(15)26(37)35-16-5-6-16)36-14-34-25-21(33-10-9-27(30,31)32)12-18(13-22(25)36)38-23-4-2-3-20(28)24(23)29/h2-4,7-8,11-14,16,33H,5-6,9-10H2,1H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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))
BDBM236696
PNG
(US9388140, 37)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3)cc12
Show InChI InChI=1S/C27H25F3N4O2/c1-17-13-19(9-10-22(17)26(35)33-18-7-8-18)34-16-32-25-23(31-12-11-27(28,29)30)14-21(15-24(25)34)36-20-5-3-2-4-6-20/h2-6,9-10,13-16,18,31H,7-8,11-12H2,1H3,(H,33,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.5n/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))
BDBM236766
PNG
(US9388140, 111)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(O)c3)cc12
Show InChI InChI=1S/C27H25F3N4O3/c1-16-11-18(7-8-22(16)26(36)33-17-5-6-17)34-15-32-25-23(31-10-9-27(28,29)30)13-21(14-24(25)34)37-20-4-2-3-19(35)12-20/h2-4,7-8,11-15,17,31,35H,5-6,9-10H2,1H3,(H,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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))
BDBM236675
PNG
(US9388140, 16)
Show SMILES Cc1ccc(F)cc1Oc1cc(NCC2CCOCC2)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C31H33FN4O3/c1-19-3-4-22(32)14-29(19)39-25-15-27(33-17-21-9-11-38-12-10-21)30-28(16-25)36(18-34-30)24-7-8-26(20(2)13-24)31(37)35-23-5-6-23/h3-4,7-8,13-16,18,21,23,33H,5-6,9-12,17H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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))
BDBM236674
PNG
(US9388140, 15)
Show SMILES Cc1cc(F)cc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c1
Show InChI InChI=1S/C31H33FN4O3/c1-19-11-22(32)14-25(12-19)39-26-15-28(33-17-21-7-9-38-10-8-21)30-29(16-26)36(18-34-30)24-5-6-27(20(2)13-24)31(37)35-23-3-4-23/h5-6,11-16,18,21,23,33H,3-4,7-10,17H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.600n/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))
BDBM236739
PNG
(US9388140, 83)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)c(F)c3)cc12
Show InChI InChI=1S/C27H24F4N4O3/c1-15-10-17(4-6-20(15)26(37)34-16-2-3-16)35-14-33-25-22(32-9-8-27(29,30)31)12-19(13-23(25)35)38-18-5-7-24(36)21(28)11-18/h4-7,10-14,16,32,36H,2-3,8-9H2,1H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM236663
PNG
(US9388140, 4)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3)cc12
Show InChI InChI=1S/C27H24F4N4O2/c1-16-11-19(7-8-22(16)26(36)34-18-5-6-18)35-15-33-25-23(32-10-9-27(29,30)31)13-21(14-24(25)35)37-20-4-2-3-17(28)12-20/h2-4,7-8,11-15,18,32H,5-6,9-10H2,1H3,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM236714
PNG
(US9388140, 55)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3O)cc12
Show InChI InChI=1S/C26H25F3N4O3/c1-3-30-25(35)19-9-8-17(12-16(19)2)33-15-32-24-20(31-11-10-26(27,28)29)13-18(14-21(24)33)36-23-7-5-4-6-22(23)34/h4-9,12-15,31,34H,3,10-11H2,1-2H3,(H,30,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM236683
PNG
(BDBM236703 | US9388140, 24)
Show SMILES COc1ccc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F
Show InChI InChI=1S/C31H33FN4O4/c1-19-13-22(5-7-25(19)31(37)35-21-3-4-21)36-18-34-30-27(33-17-20-9-11-39-12-10-20)15-24(16-28(30)36)40-23-6-8-29(38-2)26(32)14-23/h5-8,13-16,18,20-21,33H,3-4,9-12,17H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM236692
PNG
(US9388140, 33)
Show SMILES COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F
Show InChI InChI=1S/C28H26F4N4O3/c1-16-11-18(5-7-21(16)27(37)35-17-3-4-17)36-15-34-26-23(33-10-9-28(30,31)32)13-20(14-24(26)36)39-19-6-8-25(38-2)22(29)12-19/h5-8,11-15,17,33H,3-4,9-10H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM236776
PNG
(US9388140, 114A)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(O)c(F)c3)cc12
Show InChI InChI=1S/C30H31FN4O4/c1-18-12-21(4-6-24(18)30(37)34-20-2-3-20)35-17-33-29-26(32-16-19-8-10-38-11-9-19)14-23(15-27(29)35)39-22-5-7-28(36)25(31)13-22/h4-7,12-15,17,19-20,32,36H,2-3,8-11,16H2,1H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.700n/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))
BDBM236710
PNG
(US9388140, 51)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C32H32F3N5O2/c1-18-13-20(3-9-25(18)30(41)38-22-4-5-22)21-15-27(36-12-11-32(33,34)35)29-28(16-21)40(17-37-29)24-8-10-26(19(2)14-24)31(42)39-23-6-7-23/h3,8-10,13-17,22-23,36H,4-7,11-12H2,1-2H3,(H,38,41)(H,39,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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))
BDBM236761
PNG
(US9388140, 106)
Show SMILES COc1ccc(Cc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1F
Show InChI InChI=1S/C29H28F4N4O2/c1-17-11-21(6-7-22(17)28(38)36-20-4-5-20)37-16-35-27-24(34-10-9-29(31,32)33)14-19(15-25(27)37)12-18-3-8-26(39-2)23(30)13-18/h3,6-8,11,13-16,20,34H,4-5,9-10,12H2,1-2H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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))
BDBM236711
PNG
(US9388140, 52)
Show SMILES CNC(=O)c1ccc(cc1C)-c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C30H30F3N5O2/c1-17-12-19(4-8-23(17)28(39)34-3)20-14-25(35-11-10-30(31,32)33)27-26(15-20)38(16-36-27)22-7-9-24(18(2)13-22)29(40)37-21-5-6-21/h4,7-9,12-16,21,35H,5-6,10-11H2,1-3H3,(H,34,39)(H,37,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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))
BDBM236688
PNG
(US9388140, 29)
Show SMILES COc1ccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c(F)c1
Show InChI InChI=1S/C28H26F4N4O3/c1-16-11-18(5-7-21(16)27(37)35-17-3-4-17)36-15-34-26-23(33-10-9-28(30,31)32)13-20(14-24(26)36)39-25-8-6-19(38-2)12-22(25)29/h5-8,11-15,17,33H,3-4,9-10H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.900n/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))
BDBM236725
PNG
(US9388140, 67)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C25H21F5N4O2/c1-14-10-15(6-7-17(14)24(35)31-2)34-13-33-23-19(32-9-8-25(28,29)30)11-16(12-20(23)34)36-21-5-3-4-18(26)22(21)27/h3-7,10-13,32H,8-9H2,1-2H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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))
BDBM236735
PNG
(US9388140, 77)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(c3)C#N)cc12
Show InChI InChI=1S/C28H24F3N5O2/c1-17-11-20(7-8-23(17)27(37)35-19-5-6-19)36-16-34-26-24(33-10-9-28(29,30)31)13-22(14-25(26)36)38-21-4-2-3-18(12-21)15-32/h2-4,7-8,11-14,16,19,33H,5-6,9-10H2,1H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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))
BDBM236778
PNG
(US9388140, 116A)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(O)cc3F)cc12
Show InChI InChI=1S/C30H31FN4O4/c1-18-12-21(4-6-24(18)30(37)34-20-2-3-20)35-17-33-29-26(32-16-19-8-10-38-11-9-19)14-23(15-27(29)35)39-28-7-5-22(36)13-25(28)31/h4-7,12-15,17,19-20,32,36H,2-3,8-11,16H2,1H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
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))
BDBM236709
PNG
(US9388140, 50)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)cc3)cc12
Show InChI InChI=1S/C27H25F3N4O3/c1-16-12-18(4-9-22(16)26(36)33-17-2-3-17)34-15-32-25-23(31-11-10-27(28,29)30)13-21(14-24(25)34)37-20-7-5-19(35)6-8-20/h4-9,12-15,17,31,35H,2-3,10-11H2,1H3,(H,33,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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))
BDBM236746
PNG
(US9388140, 90)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)cc3F)cc12
Show InChI InChI=1S/C27H24F4N4O3/c1-15-10-17(4-6-20(15)26(37)34-16-2-3-16)35-14-33-25-22(32-9-8-27(29,30)31)12-19(13-23(25)35)38-24-7-5-18(36)11-21(24)28/h4-7,10-14,16,32,36H,2-3,8-9H2,1H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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))
BDBM236676
PNG
(US9388140, 17)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(F)c(F)c3)cc12
Show InChI InChI=1S/C30H30F2N4O3/c1-18-12-21(4-6-24(18)30(37)35-20-2-3-20)36-17-34-29-27(33-16-19-8-10-38-11-9-19)14-23(15-28(29)36)39-22-5-7-25(31)26(32)13-22/h4-7,12-15,17,19-20,33H,2-3,8-11,16H2,1H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.10n/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))
BDBM236678
PNG
(US9388140, 19)
Show SMILES Cc1ccc(F)cc1Nc1cc(NCC2CCOCC2)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C31H34FN5O2/c1-19-3-4-22(32)14-27(19)35-24-15-28(33-17-21-9-11-39-12-10-21)30-29(16-24)37(18-34-30)25-7-8-26(20(2)13-25)31(38)36-23-5-6-23/h3-4,7-8,13-16,18,21,23,33,35H,5-6,9-12,17H2,1-2H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236719
PNG
(US9388140, 61)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OC(F)F)cc3)cc12
Show InChI InChI=1S/C28H25F5N4O3/c1-16-12-18(4-9-22(16)26(38)36-17-2-3-17)37-15-35-25-23(34-11-10-28(31,32)33)13-21(14-24(25)37)39-19-5-7-20(8-6-19)40-27(29)30/h4-9,12-15,17,27,34H,2-3,10-11H2,1H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.30n/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))
BDBM236686
PNG
(US9388140, 27)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(F)c(F)c3)cc12
Show InChI InChI=1S/C27H23F5N4O2/c1-15-10-17(4-6-20(15)26(37)35-16-2-3-16)36-14-34-25-23(33-9-8-27(30,31)32)12-19(13-24(25)36)38-18-5-7-21(28)22(29)11-18/h4-7,10-14,16,33H,2-3,8-9H2,1H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.40n/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))
BDBM236662
PNG
(US9388140, 3)
Show SMILES Cc1ccc(F)cc1Nc1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C28H27F4N5O/c1-16-3-4-18(29)12-23(16)35-20-13-24(33-10-9-28(30,31)32)26-25(14-20)37(15-34-26)21-7-8-22(17(2)11-21)27(38)36-19-5-6-19/h3-4,7-8,11-15,19,33,35H,5-6,9-10H2,1-2H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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))
BDBM236679
PNG
(US9388140, 20)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(cc12)-c1ccccc1CO
Show InChI InChI=1S/C31H34N4O3/c1-20-14-25(8-9-26(20)31(37)34-24-6-7-24)35-19-33-30-28(32-17-21-10-12-38-13-11-21)15-23(16-29(30)35)27-5-3-2-4-22(27)18-36/h2-5,8-9,14-16,19,21,24,32,36H,6-7,10-13,17-18H2,1H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.5n/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))
BDBM236758
PNG
(US9388140, 102)
Show SMILES COc1ccc(cc1F)C(O)c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C29H28F4N4O3/c1-16-11-20(6-7-21(16)28(39)36-19-4-5-19)37-15-35-26-23(34-10-9-29(31,32)33)13-18(14-24(26)37)27(38)17-3-8-25(40-2)22(30)12-17/h3,6-8,11-15,19,27,34,38H,4-5,9-10H2,1-2H3,(H,36,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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))
BDBM236685
PNG
(US9388140, 26)
Show SMILES Cc1cc(F)cc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c1
Show InChI InChI=1S/C28H26F4N4O2/c1-16-9-18(29)12-21(10-16)38-22-13-24(33-8-7-28(30,31)32)26-25(14-22)36(15-34-26)20-5-6-23(17(2)11-20)27(37)35-19-3-4-19/h5-6,9-15,19,33H,3-4,7-8H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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))
BDBM236680
PNG
(US9388140, 21)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccccc1CO
Show InChI InChI=1S/C28H27F3N4O2/c1-17-12-21(8-9-22(17)27(37)34-20-6-7-20)35-16-33-26-24(32-11-10-28(29,30)31)13-19(14-25(26)35)23-5-3-2-4-18(23)15-36/h2-5,8-9,12-14,16,20,32,36H,6-7,10-11,15H2,1H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.80n/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))
BDBM236666
PNG
(US9388140, 7)
Show SMILES CC(C)CNc1cc(cc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccc(F)cc1
Show InChI InChI=1S/C27H27FN4O/c1-17(2)15-29-24-13-20(18-3-7-21(28)8-4-18)14-25-26(24)30-16-32(25)23-11-5-19(6-12-23)27(33)31-22-9-10-22/h3-8,11-14,16-17,22,29H,9-10,15H2,1-2H3,(H,31,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/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))
BDBM236712
PNG
(US9388140, 53)
Show SMILES CCNC(=O)c1ccc(cc1C)-c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C31H32F3N5O2/c1-4-35-29(40)24-9-5-20(13-18(24)2)21-15-26(36-12-11-31(32,33)34)28-27(16-21)39(17-37-28)23-8-10-25(19(3)14-23)30(41)38-22-6-7-22/h5,8-10,13-17,22,36H,4,6-7,11-12H2,1-3H3,(H,35,40)(H,38,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 1.90n/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))
BDBM236728
PNG
(US9388140, 70)
Show SMILES COc1cccc(Oc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c1
Show InChI InChI=1S/C28H27F3N4O3/c1-17-12-19(8-9-23(17)27(36)34-18-6-7-18)35-16-33-26-24(32-11-10-28(29,30)31)14-22(15-25(26)35)38-21-5-3-4-20(13-21)37-2/h3-5,8-9,12-16,18,32H,6-7,10-11H2,1-2H3,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2n/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))
BDBM236724
PNG
(US9388140, 66)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C26H23F5N4O2/c1-3-32-25(36)18-8-7-16(11-15(18)2)35-14-34-24-20(33-10-9-26(29,30)31)12-17(13-21(24)35)37-22-6-4-5-19(27)23(22)28/h4-8,11-14,33H,3,9-10H2,1-2H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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))
BDBM236759
PNG
(US9388140, 104)
Show SMILES COc1ccc(cc1F)C(=C)c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C30H28F4N4O2/c1-17-12-22(7-8-23(17)29(39)37-21-5-6-21)38-16-36-28-25(35-11-10-30(32,33)34)14-20(15-26(28)38)18(2)19-4-9-27(40-3)24(31)13-19/h4,7-9,12-16,21,35H,2,5-6,10-11H2,1,3H3,(H,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.10n/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))
BDBM236682
PNG
(US9388140, 23)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C30H31ClN4O3/c1-19-14-23(6-9-26(19)30(36)34-22-4-5-22)35-18-33-29-27(32-17-20-10-12-37-13-11-20)15-25(16-28(29)35)38-24-7-2-21(31)3-8-24/h2-3,6-9,14-16,18,20,22,32H,4-5,10-13,17H2,1H3,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236664
PNG
(US9388140, 5)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Nc3cccc(F)c3F)cc12
Show InChI InChI=1S/C27H24F5N5O/c1-15-11-18(7-8-19(15)26(38)36-16-5-6-16)37-14-34-25-22(33-10-9-27(30,31)32)12-17(13-23(25)37)35-21-4-2-3-20(28)24(21)29/h2-4,7-8,11-14,16,33,35H,5-6,9-10H2,1H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.30n/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))
BDBM236677
PNG
(US9388140, 18)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(Cl)cc3)cc12
Show InChI InChI=1S/C27H24ClF3N4O2/c1-16-12-19(6-9-22(16)26(36)34-18-4-5-18)35-15-33-25-23(32-11-10-27(29,30)31)13-21(14-24(25)35)37-20-7-2-17(28)3-8-20/h2-3,6-9,12-15,18,32H,4-5,10-11H2,1H3,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/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))
BDBM236755
PNG
(US9388140, 99)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)c(F)c3)cc12
Show InChI InChI=1S/C25H22F4N4O3/c1-14-9-15(3-5-18(14)24(35)30-2)33-13-32-23-20(31-8-7-25(27,28)29)11-17(12-21(23)33)36-16-4-6-22(34)19(26)10-16/h3-6,9-13,31,34H,7-8H2,1-2H3,(H,30,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.40n/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))
BDBM236722
PNG
(US9388140, 64)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(c3)S(C)(=O)=O)cc12
Show InChI InChI=1S/C28H27F3N4O4S/c1-17-12-19(8-9-23(17)27(36)34-18-6-7-18)35-16-33-26-24(32-11-10-28(29,30)31)14-21(15-25(26)35)39-20-4-3-5-22(13-20)40(2,37)38/h3-5,8-9,12-16,18,32H,6-7,10-11H2,1-2H3,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.60n/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))
BDBM236773
PNG
(US9388140, 103A)
Show SMILES COc1ccc(cc1F)C(C)(O)c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C30H30F4N4O3/c1-17-12-21(7-8-22(17)28(39)37-20-5-6-20)38-16-36-27-24(35-11-10-30(32,33)34)14-19(15-25(27)38)29(2,40)18-4-9-26(41-3)23(31)13-18/h4,7-9,12-16,20,35,40H,5-6,10-11H2,1-3H3,(H,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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))
BDBM236681
PNG
(US9388140, 22)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(Cl)c(F)c3)cc12
Show InChI InChI=1S/C30H30ClFN4O3/c1-18-12-21(4-6-24(18)30(37)35-20-2-3-20)36-17-34-29-27(33-16-19-8-10-38-11-9-19)14-23(15-28(29)36)39-22-5-7-25(31)26(32)13-22/h4-7,12-15,17,19-20,33H,2-3,8-11,16H2,1H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.70n/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))
BDBM236723
PNG
(US9388140, 65)
Show SMILES COc1cccc(Nc2cc(NCCC(F)(F)F)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c1C
Show InChI InChI=1S/C29H30F3N5O2/c1-17-13-21(9-10-22(17)28(38)36-19-7-8-19)37-16-34-27-24(33-12-11-29(30,31)32)14-20(15-25(27)37)35-23-5-4-6-26(39-3)18(23)2/h4-6,9-10,13-16,19,33,35H,7-8,11-12H2,1-3H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/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))
BDBM236764
PNG
(US9388140, 109)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(c3)C(F)F)cc12
Show InChI InChI=1S/C28H25F5N4O2/c1-16-11-19(7-8-22(16)27(38)36-18-5-6-18)37-15-35-25-23(34-10-9-28(31,32)33)13-21(14-24(25)37)39-20-4-2-3-17(12-20)26(29)30/h2-4,7-8,11-15,18,26,34H,5-6,9-10H2,1H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.80n/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))
BDBM236771
PNG
(US9388140, 116B)
Show SMILES COc1ccc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)c(SC)c1
Show InChI InChI=1S/C32H36N4O4S/c1-20-14-23(6-8-26(20)32(37)35-22-4-5-22)36-19-34-31-27(33-18-21-10-12-39-13-11-21)15-25(16-28(31)36)40-29-9-7-24(38-2)17-30(29)41-3/h6-9,14-17,19,21-22,33H,4-5,10-13,18H2,1-3H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/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))
BDBM236760
PNG
(US9388140, 105)
Show SMILES COc1ccc(cc1F)C(C)c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C30H30F4N4O2/c1-17-12-22(7-8-23(17)29(39)37-21-5-6-21)38-16-36-28-25(35-11-10-30(32,33)34)14-20(15-26(28)38)18(2)19-4-9-27(40-3)24(31)13-19/h4,7-9,12-16,18,21,35H,5-6,10-11H2,1-3H3,(H,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 2.90n/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))
BDBM236748
PNG
(US9388140, 92)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3O)cc12
Show InChI InChI=1S/C25H22F4N4O3/c1-14-10-15(6-7-17(14)24(35)30-2)33-13-32-22-19(31-9-8-25(27,28)29)11-16(12-20(22)33)36-21-5-3-4-18(26)23(21)34/h3-7,10-13,31,34H,8-9H2,1-2H3,(H,30,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3n/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))
BDBM236687
PNG
(US9388140, 28)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(Cl)c(F)c3)cc12
Show InChI InChI=1S/C27H23ClF4N4O2/c1-15-10-17(4-6-20(15)26(37)35-16-2-3-16)36-14-34-25-23(33-9-8-27(30,31)32)12-19(13-24(25)36)38-18-5-7-21(28)22(29)11-18/h4-7,10-14,16,33H,2-3,8-9H2,1H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/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))
BDBM236750
PNG
(US9388140, 94)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(O)c3)cc12
Show InChI InChI=1S/C25H23F3N4O3/c1-15-10-16(6-7-20(15)24(34)29-2)32-14-31-23-21(30-9-8-25(26,27)28)12-19(13-22(23)32)35-18-5-3-4-17(33)11-18/h3-7,10-14,30,33H,8-9H2,1-2H3,(H,29,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.10n/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))
BDBM236720
PNG
(US9388140, 62)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(OC(F)F)c3)cc12
Show InChI InChI=1S/C28H25F5N4O3/c1-16-11-18(7-8-22(16)26(38)36-17-5-6-17)37-15-35-25-23(34-10-9-28(31,32)33)13-21(14-24(25)37)39-19-3-2-4-20(12-19)40-27(29)30/h2-4,7-8,11-15,17,27,34H,5-6,9-10H2,1H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236741
PNG
(US9388140, 85)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C29H30F2N4O3/c1-3-32-29(36)22-8-7-20(13-18(22)2)35-17-34-28-24(33-16-19-9-11-37-12-10-19)14-21(15-25(28)35)38-26-6-4-5-23(30)27(26)31/h4-8,13-15,17,19,33H,3,9-12,16H2,1-2H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.30n/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))
BDBM236756
PNG
(US9388140, 100)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)c(F)c3)cc12
Show InChI InChI=1S/C26H24F4N4O3/c1-3-31-25(36)19-6-4-16(10-15(19)2)34-14-33-24-21(32-9-8-26(28,29)30)12-18(13-22(24)34)37-17-5-7-23(35)20(27)11-17/h4-7,10-14,32,35H,3,8-9H2,1-2H3,(H,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/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))
BDBM236740
PNG
(US9388140, 84)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3cccc(F)c3F)cc12
Show InChI InChI=1S/C28H28F2N4O3/c1-17-12-19(6-7-21(17)28(35)31-2)34-16-33-27-23(32-15-18-8-10-36-11-9-18)13-20(14-24(27)34)37-25-5-3-4-22(29)26(25)30/h3-7,12-14,16,18,32H,8-11,15H2,1-2H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.40n/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))
BDBM236767
PNG
(US9388140, 112)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(O)c(F)c3)cc12
Show InChI InChI=1S/C28H29FN4O4/c1-17-11-19(3-5-22(17)28(35)30-2)33-16-32-27-24(31-15-18-7-9-36-10-8-18)13-21(14-25(27)33)37-20-4-6-26(34)23(29)12-20/h3-6,11-14,16,18,31,34H,7-10,15H2,1-2H3,(H,30,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.60n/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))
BDBM236738
PNG
(US9388140, 82)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Nc3ccccc3O)cc12
Show InChI InChI=1S/C27H26F3N5O2/c1-16-12-19(8-9-20(16)26(37)34-17-6-7-17)35-15-32-25-22(31-11-10-27(28,29)30)13-18(14-23(25)35)33-21-4-2-3-5-24(21)36/h2-5,8-9,12-15,17,31,33,36H,6-7,10-11H2,1H3,(H,34,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/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))
BDBM236694
PNG
(US9388140, 35)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OC)c(F)c3)cc12
Show InChI InChI=1S/C26H24F4N4O3/c1-15-10-16(4-6-19(15)25(35)31-2)34-14-33-24-21(32-9-8-26(28,29)30)12-18(13-22(24)34)37-17-5-7-23(36-3)20(27)11-17/h4-7,10-14,32H,8-9H2,1-3H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/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))
BDBM236737
PNG
(US9388140, 79)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(c3)C(=O)NC3CC3)cc12
Show InChI InChI=1S/C31H30F3N5O3/c1-18-13-22(9-10-25(18)30(41)38-21-7-8-21)39-17-36-28-26(35-12-11-31(32,33)34)15-24(16-27(28)39)42-23-4-2-3-19(14-23)29(40)37-20-5-6-20/h2-4,9-10,13-17,20-21,35H,5-8,11-12H2,1H3,(H,37,40)(H,38,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 3.90n/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))
BDBM236701
PNG
(US9388140, 42 | US9388140, 43)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(OC)c(F)c3)cc12
Show InChI InChI=1S/C29H31FN4O4/c1-18-12-20(4-6-23(18)29(35)31-2)34-17-33-28-25(32-16-19-8-10-37-11-9-19)14-22(15-26(28)34)38-21-5-7-27(36-3)24(30)13-21/h4-7,12-15,17,19,32H,8-11,16H2,1-3H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236749
PNG
(US9388140, 93)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3O)cc12
Show InChI InChI=1S/C26H24F4N4O3/c1-3-31-25(36)18-8-7-16(11-15(18)2)34-14-33-23-20(32-10-9-26(28,29)30)12-17(13-21(23)34)37-22-6-4-5-19(27)24(22)35/h4-8,11-14,32,35H,3,9-10H2,1-2H3,(H,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.10n/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))
BDBM236754
PNG
(US9388140, 98)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)cc3F)cc12
Show InChI InChI=1S/C26H24F4N4O3/c1-3-31-25(36)19-6-4-16(10-15(19)2)34-14-33-24-21(32-9-8-26(28,29)30)12-18(13-22(24)34)37-23-7-5-17(35)11-20(23)27/h4-7,10-14,32,35H,3,8-9H2,1-2H3,(H,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/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))
BDBM236753
PNG
(US9388140, 97)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)cc3F)cc12
Show InChI InChI=1S/C25H22F4N4O3/c1-14-9-15(3-5-18(14)24(35)30-2)33-13-32-23-20(31-8-7-25(27,28)29)11-17(12-21(23)33)36-22-6-4-16(34)10-19(22)26/h3-6,9-13,31,34H,7-8H2,1-2H3,(H,30,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.60n/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))
BDBM236669
PNG
(US9388140, 10)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3)cc12
Show InChI InChI=1S/C25H22F4N4O2/c1-15-10-17(6-7-20(15)24(34)30-2)33-14-32-23-21(31-9-8-25(27,28)29)12-19(13-22(23)33)35-18-5-3-4-16(26)11-18/h3-7,10-14,31H,8-9H2,1-2H3,(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.70n/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))
BDBM236752
PNG
(US9388140, 96)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(c3)S(F)(F)(F)(F)F)cc12
Show InChI InChI=1S/C27H24F8N4O2S/c1-16-11-18(7-8-22(16)26(40)38-17-5-6-17)39-15-37-25-23(36-10-9-27(28,29)30)13-20(14-24(25)39)41-19-3-2-4-21(12-19)42(31,32,33,34)35/h2-4,7-8,11-15,17,36H,5-6,9-10H2,1H3,(H,38,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/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))
BDBM236689
PNG
(US9388140, 30)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccnn1C
Show InChI InChI=1S/C25H25F3N6O/c1-15-11-18(5-6-19(15)24(35)32-17-3-4-17)34-14-30-23-20(29-10-8-25(26,27)28)12-16(13-22(23)34)21-7-9-31-33(21)2/h5-7,9,11-14,17,29H,3-4,8,10H2,1-2H3,(H,32,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.80n/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))
BDBM236701
PNG
(US9388140, 42 | US9388140, 43)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(OC)c(F)c3)cc12
Show InChI InChI=1S/C29H31FN4O4/c1-18-12-20(4-6-23(18)29(35)31-2)34-17-33-28-25(32-16-19-8-10-37-11-9-19)14-22(15-26(28)34)38-21-5-7-27(36-3)24(30)13-21/h4-7,12-15,17,19,32H,8-11,16H2,1-3H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 4.90n/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))
BDBM236667
PNG
(US9388140, 8)
Show SMILES CC(C)CNc1cc(cc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1ccccc1
Show InChI InChI=1S/C27H28N4O/c1-18(2)16-28-24-14-21(19-6-4-3-5-7-19)15-25-26(24)29-17-31(25)23-12-8-20(9-13-23)27(32)30-22-10-11-22/h3-9,12-15,17-18,22,28H,10-11,16H2,1-2H3,(H,30,32)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30n/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))
BDBM236762
PNG
(US9388140, 107)
Show SMILES Cc1ccc(F)cc1Oc1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C28H26F4N4O2/c1-16-3-4-18(29)12-25(16)38-21-13-23(33-10-9-28(30,31)32)26-24(14-21)36(15-34-26)20-7-8-22(17(2)11-20)27(37)35-19-5-6-19/h3-4,7-8,11-15,19,33H,5-6,9-10H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.30n/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))
BDBM236708
PNG
(US9388140, 49)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)cc3)cc12
Show InChI InChI=1S/C26H25F3N4O3/c1-3-30-25(35)21-9-4-17(12-16(21)2)33-15-32-24-22(31-11-10-26(27,28)29)13-20(14-23(24)33)36-19-7-5-18(34)6-8-19/h4-9,12-15,31,34H,3,10-11H2,1-2H3,(H,30,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.5n/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))
BDBM236707
PNG
(US9388140, 48)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(O)cc3)cc12
Show InChI InChI=1S/C25H23F3N4O3/c1-15-11-16(3-8-20(15)24(34)29-2)32-14-31-23-21(30-10-9-25(26,27)28)12-19(13-22(23)32)35-18-6-4-17(33)5-7-18/h3-8,11-14,30,33H,9-10H2,1-2H3,(H,29,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.60n/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))
BDBM236751
PNG
(US9388140, 95)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(O)c3)cc12
Show InChI InChI=1S/C26H25F3N4O3/c1-3-30-25(35)21-8-7-17(11-16(21)2)33-15-32-24-22(31-10-9-26(27,28)29)13-20(14-23(24)33)36-19-6-4-5-18(34)12-19/h4-8,11-15,31,34H,3,9-10H2,1-2H3,(H,30,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.60n/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))
BDBM236693
PNG
(US9388140, 34)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OC)c(F)c3)cc12
Show InChI InChI=1S/C27H26F4N4O3/c1-4-32-26(36)20-7-5-17(11-16(20)2)35-15-34-25-22(33-10-9-27(29,30)31)13-19(14-23(25)35)38-18-6-8-24(37-3)21(28)12-18/h5-8,11-15,33H,4,9-10H2,1-3H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 5.80n/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))
BDBM236775
PNG
(US9388140, 113A)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(O)c(F)c3)cc12
Show InChI InChI=1S/C29H31FN4O4/c1-3-31-29(36)23-6-4-20(12-18(23)2)34-17-33-28-25(32-16-19-8-10-37-11-9-19)14-22(15-26(28)34)38-21-5-7-27(35)24(30)13-21/h4-7,12-15,17,19,32,35H,3,8-11,16H2,1-2H3,(H,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.30n/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))
BDBM236732
PNG
(US9388140, 74)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(cc3)S(C)(=O)=O)cc12
Show InChI InChI=1S/C28H27F3N4O4S/c1-17-13-19(5-10-23(17)27(36)34-18-3-4-18)35-16-33-26-24(32-12-11-28(29,30)31)14-21(15-25(26)35)39-20-6-8-22(9-7-20)40(2,37)38/h5-10,13-16,18,32H,3-4,11-12H2,1-2H3,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/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))
BDBM236757
PNG
(US9388140, 101)
Show SMILES COc1ccc(cc1F)C(=O)c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C29H26F4N4O3/c1-16-11-20(6-7-21(16)28(39)36-19-4-5-19)37-15-35-26-23(34-10-9-29(31,32)33)13-18(14-24(26)37)27(38)17-3-8-25(40-2)22(30)12-17/h3,6-8,11-15,19,34H,4-5,9-10H2,1-2H3,(H,36,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.40n/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))
BDBM236670
PNG
(US9388140, 11)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3)cc12
Show InChI InChI=1S/C26H24F4N4O2/c1-3-31-25(35)21-8-7-18(11-16(21)2)34-15-33-24-22(32-10-9-26(28,29)30)13-20(14-23(24)34)36-19-6-4-5-17(27)12-19/h4-8,11-15,32H,3,9-10H2,1-2H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.60n/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))
BDBM236704
PNG
(US9388140, 45)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OCc4ccccc4)cc3)cc12
Show InChI InChI=1S/C34H31F3N4O3/c1-22-17-25(9-14-29(22)33(42)40-24-7-8-24)41-21-39-32-30(38-16-15-34(35,36)37)18-28(19-31(32)41)44-27-12-10-26(11-13-27)43-20-23-5-3-2-4-6-23/h2-6,9-14,17-19,21,24,38H,7-8,15-16,20H2,1H3,(H,40,42)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70n/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))
BDBM236769
PNG
(US9388140, 114B)
Show SMILES COc1ccc(Oc2cc(NCC3CCOCC3)c3ncn(-c4ccc(C(=O)NC5CC5)c(C)c4)c3c2)cc1SC
Show InChI InChI=1S/C32H36N4O4S/c1-20-14-23(6-8-26(20)32(37)35-22-4-5-22)36-19-34-31-27(33-18-21-10-12-39-13-11-21)15-25(16-28(31)36)40-24-7-9-29(38-2)30(17-24)41-3/h6-9,14-17,19,21-22,33H,4-5,10-13,18H2,1-3H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70n/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))
BDBM236744
PNG
(US9388140, 88)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OC)cc3F)cc12
Show InChI InChI=1S/C26H24F4N4O3/c1-15-10-16(4-6-19(15)25(35)31-2)34-14-33-24-21(32-9-8-26(28,29)30)12-18(13-22(24)34)37-23-7-5-17(36-3)11-20(23)27/h4-7,10-14,32H,8-9H2,1-3H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70n/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))
BDBM236779
PNG
(US9388140, 117A)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(O)cc3F)cc12
Show InChI InChI=1S/C29H31FN4O4/c1-3-31-29(36)23-6-4-20(12-18(23)2)34-17-33-28-25(32-16-19-8-10-37-11-9-19)14-22(15-26(28)34)38-27-7-5-21(35)13-24(27)30/h4-7,12-15,17,19,32,35H,3,8-11,16H2,1-2H3,(H,31,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.70n/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))
BDBM236716
PNG
(US9388140, 57)
Show SMILES COc1c(F)cccc1Oc1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C28H26F4N4O3/c1-16-12-18(8-9-20(16)27(37)35-17-6-7-17)36-15-34-25-22(33-11-10-28(30,31)32)13-19(14-23(25)36)39-24-5-3-4-21(29)26(24)38-2/h3-5,8-9,12-15,17,33H,6-7,10-11H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/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))
BDBM236742
PNG
(US9388140, 86)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(OC)cc3F)cc12
Show InChI InChI=1S/C29H31FN4O4/c1-18-12-20(4-6-23(18)29(35)31-2)34-17-33-28-25(32-16-19-8-10-37-11-9-19)14-22(15-26(28)34)38-27-7-5-21(36-3)13-24(27)30/h4-7,12-15,17,19,32H,8-11,16H2,1-3H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236734
PNG
(US9388140, 76)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(F)c(c3)C(F)(F)F)cc12
Show InChI InChI=1S/C28H23F7N4O2/c1-15-10-17(4-6-20(15)26(40)38-16-2-3-16)39-14-37-25-23(36-9-8-27(30,31)32)12-19(13-24(25)39)41-18-5-7-22(29)21(11-18)28(33,34)35/h4-7,10-14,16,36H,2-3,8-9H2,1H3,(H,38,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236777
PNG
(US9388140, 115A)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(O)cc3F)cc12
Show InChI InChI=1S/C28H29FN4O4/c1-17-11-19(3-5-22(17)28(35)30-2)33-16-32-27-24(31-15-18-7-9-36-10-8-18)13-21(14-25(27)33)37-26-6-4-20(34)12-23(26)29/h3-6,11-14,16,18,31,34H,7-10,15H2,1-2H3,(H,30,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.30n/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))
BDBM236726
PNG
(US9388140, 68)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(OC)c3)cc12
Show InChI InChI=1S/C26H25F3N4O3/c1-16-11-17(7-8-21(16)25(34)30-2)33-15-32-24-22(31-10-9-26(27,28)29)13-20(14-23(24)33)36-19-6-4-5-18(12-19)35-3/h4-8,11-15,31H,9-10H2,1-3H3,(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 8.80n/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))
BDBM236700
PNG
(US9388140, 41)
Show SMILES COc1ccccc1Oc1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C28H27F3N4O3/c1-17-13-19(9-10-21(17)27(36)34-18-7-8-18)35-16-33-26-22(32-12-11-28(29,30)31)14-20(15-23(26)35)38-25-6-4-3-5-24(25)37-2/h3-6,9-10,13-16,18,32H,7-8,11-12H2,1-2H3,(H,34,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.1n/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))
BDBM236745
PNG
(US9388140, 89)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OC)cc3F)cc12
Show InChI InChI=1S/C27H26F4N4O3/c1-4-32-26(36)20-7-5-17(11-16(20)2)35-15-34-25-22(33-10-9-27(29,30)31)13-19(14-23(25)35)38-24-8-6-18(37-3)12-21(24)28/h5-8,11-15,33H,4,9-10H2,1-3H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 10.8n/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))
BDBM236736
PNG
(US9388140, 78)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(cc3)-n3cncn3)cc12
Show InChI InChI=1S/C29H26F3N7O2/c1-18-12-21(6-9-24(18)28(40)37-19-2-3-19)38-17-35-27-25(34-11-10-29(30,31)32)13-23(14-26(27)38)41-22-7-4-20(5-8-22)39-16-33-15-36-39/h4-9,12-17,19,34H,2-3,10-11H2,1H3,(H,37,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11n/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))
BDBM236743
PNG
(US9388140, 87)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(OC)cc3F)cc12
Show InChI InChI=1S/C30H33FN4O4/c1-4-32-30(36)24-7-5-21(13-19(24)2)35-18-34-29-26(33-17-20-9-11-38-12-10-20)15-23(16-27(29)35)39-28-8-6-22(37-3)14-25(28)31/h5-8,13-16,18,20,33H,4,9-12,17H2,1-3H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236718
PNG
(US9388140, 60)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(cc3)N3CCOCC3)cc12
Show InChI InChI=1S/C31H32F3N5O3/c1-20-16-23(6-9-26(20)30(40)37-21-2-3-21)39-19-36-29-27(35-11-10-31(32,33)34)17-25(18-28(29)39)42-24-7-4-22(5-8-24)38-12-14-41-15-13-38/h4-9,16-19,21,35H,2-3,10-15H2,1H3,(H,37,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.5n/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))
BDBM236717
PNG
(US9388140, 59)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(OC(F)(F)F)c3)cc12
Show InChI InChI=1S/C28H24F6N4O3/c1-16-11-18(7-8-22(16)26(39)37-17-5-6-17)38-15-36-25-23(35-10-9-27(29,30)31)13-21(14-24(25)38)40-19-3-2-4-20(12-19)41-28(32,33)34/h2-4,7-8,11-15,17,35H,5-6,9-10H2,1H3,(H,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 11.9n/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))
BDBM236765
PNG
(US9388140, 110)
Show SMILES COc1ccccc1C(=O)c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C29H27F3N4O3/c1-17-13-20(9-10-21(17)28(38)35-19-7-8-19)36-16-34-26-23(33-12-11-29(30,31)32)14-18(15-24(26)36)27(37)22-5-3-4-6-25(22)39-2/h3-6,9-10,13-16,19,33H,7-8,11-12H2,1-2H3,(H,35,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 12n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236671
PNG
(US9388140, 12)
Show SMILES Cc1cc(ccc1C(=O)NC1(C)CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3)cc12
Show InChI InChI=1S/C28H26F4N4O2/c1-17-12-19(6-7-22(17)26(37)35-27(2)8-9-27)36-16-34-25-23(33-11-10-28(30,31)32)14-21(15-24(25)36)38-20-5-3-4-18(29)13-20/h3-7,12-16,33H,8-11H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 15.3n/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))
BDBM236665
PNG
(US9388140, 6)
Show SMILES CC(C)CNc1cc(Br)cc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C21H23BrN4O/c1-13(2)11-23-18-9-15(22)10-19-20(18)24-12-26(19)17-7-3-14(4-8-17)21(27)25-16-5-6-16/h3-4,7-10,12-13,16,23H,5-6,11H2,1-2H3,(H,25,27)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 16.6n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236763
PNG
(US9388140, 108)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(cc12)C(=O)c1ccc(O)c(F)c1
Show InChI InChI=1S/C28H24F4N4O3/c1-15-10-19(5-6-20(15)27(39)35-18-3-4-18)36-14-34-25-22(33-9-8-28(30,31)32)12-17(13-23(25)36)26(38)16-2-7-24(37)21(29)11-16/h2,5-7,10-14,18,33,37H,3-4,8-9H2,1H3,(H,35,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 17n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236721
PNG
(US9388140, 63)
Show SMILES COc1ccccc1Nc1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1
Show InChI InChI=1S/C28H28F3N5O2/c1-17-13-20(9-10-21(17)27(37)35-18-7-8-18)36-16-33-26-23(32-12-11-28(29,30)31)14-19(15-24(26)36)34-22-5-3-4-6-25(22)38-2/h3-6,9-10,13-16,18,32,34H,7-8,11-12H2,1-2H3,(H,35,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 18.9n/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))
BDBM236691
PNG
(US9388140, 32)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccnn1C
Show InChI InChI=1S/C23H23F3N6O/c1-14-10-16(4-5-17(14)22(33)27-2)32-13-29-21-18(28-9-7-23(24,25)26)11-15(12-20(21)32)19-6-8-30-31(19)3/h4-6,8,10-13,28H,7,9H2,1-3H3,(H,27,33)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 20.2n/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))
BDBM236733
PNG
(US9388140, 75)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(cc3)-c3ncco3)cc12
Show InChI InChI=1S/C30H26F3N5O3/c1-18-14-21(6-9-24(18)28(39)37-20-4-5-20)38-17-36-27-25(34-11-10-30(31,32)33)15-23(16-26(27)38)41-22-7-2-19(3-8-22)29-35-12-13-40-29/h2-3,6-9,12-17,20,34H,4-5,10-11H2,1H3,(H,37,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 21.9n/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))
BDBM236774
PNG
(US9388140, 103B)
Show SMILES COc1ccc(cc1F)C(C)(O)c1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(CO)c3)c2c1
Show InChI InChI=1S/C30H30F4N4O4/c1-29(41,18-3-8-26(42-2)23(31)12-18)19-13-24(35-10-9-30(32,33)34)27-25(14-19)38(16-36-27)21-6-7-22(17(11-21)15-39)28(40)37-20-4-5-20/h3,6-8,11-14,16,20,35,39,41H,4-5,9-10,15H2,1-2H3,(H,37,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24.2n/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))
BDBM236660
PNG
(US9388140, 1)
Show SMILES CC(C)CNc1cccc2n(cnc12)-c1ccc(cc1)C(=O)NC1CC1
Show InChI InChI=1S/C21H24N4O/c1-14(2)12-22-18-4-3-5-19-20(18)23-13-25(19)17-10-6-15(7-11-17)21(26)24-16-8-9-16/h3-7,10-11,13-14,16,22H,8-9,12H2,1-2H3,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 24.4n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236772
PNG
(US9388140, 117B)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(OC)cc3SC)cc12
Show InChI InChI=1S/C31H36N4O4S/c1-5-32-31(36)25-8-6-22(14-20(25)2)35-19-34-30-26(33-18-21-10-12-38-13-11-21)15-24(16-27(30)35)39-28-9-7-23(37-3)17-29(28)40-4/h6-9,14-17,19,21,33H,5,10-13,18H2,1-4H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25.8n/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))
BDBM236727
PNG
(US9388140, 69)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(OC)c3)cc12
Show InChI InChI=1S/C27H27F3N4O3/c1-4-31-26(35)22-9-8-18(12-17(22)2)34-16-33-25-23(32-11-10-27(28,29)30)14-21(15-24(25)34)37-20-7-5-6-19(13-20)36-3/h5-9,12-16,32H,4,10-11H2,1-3H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 25.9n/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))
BDBM236729
PNG
(US9388140, 71)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3OC)cc12
Show InChI InChI=1S/C27H26F4N4O3/c1-4-32-26(36)19-9-8-17(12-16(19)2)35-15-34-24-21(33-11-10-27(29,30)31)13-18(14-22(24)35)38-23-7-5-6-20(28)25(23)37-3/h5-9,12-15,33H,4,10-11H2,1-3H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28.5n/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))
BDBM236770
PNG
(US9388140, 115B)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(OC)cc3SC)cc12
Show InChI InChI=1S/C30H34N4O4S/c1-19-13-21(5-7-24(19)30(35)31-2)34-18-33-29-25(32-17-20-9-11-37-12-10-20)14-23(15-26(29)34)38-27-8-6-22(36-3)16-28(27)39-4/h5-8,13-16,18,20,32H,9-12,17H2,1-4H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 28.9n/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))
BDBM236730
PNG
(US9388140, 72)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3OC)cc12
Show InChI InChI=1S/C26H24F4N4O3/c1-15-11-16(7-8-18(15)25(35)31-2)34-14-33-23-20(32-10-9-26(28,29)30)12-17(13-21(23)34)37-22-6-4-5-19(27)24(22)36-3/h4-8,11-14,32H,9-10H2,1-3H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236690
PNG
(US9388140, 31)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(cc12)-c1ccnn1C
Show InChI InChI=1S/C24H25F3N6O/c1-4-28-23(34)18-6-5-17(11-15(18)2)33-14-30-22-19(29-10-8-24(25,26)27)12-16(13-21(22)33)20-7-9-31-32(20)3/h5-7,9,11-14,29H,4,8,10H2,1-3H3,(H,28,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 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
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM236698
PNG
(US9388140, 39)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3OC)cc12
Show InChI InChI=1S/C26H25F3N4O3/c1-16-12-17(8-9-19(16)25(34)30-2)33-15-32-24-20(31-11-10-26(27,28)29)13-18(14-21(24)33)36-23-7-5-4-6-22(23)35-3/h4-9,12-15,31H,10-11H2,1-3H3,(H,30,34)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 43.3n/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))
BDBM236672
PNG
(US9388140, 13)
Show SMILES Cc1cc(ccc1C(=O)NC1(CC1)C#N)-n1cnc2c(NCCC(F)(F)F)cc(Oc3cccc(F)c3)cc12
Show InChI InChI=1S/C28H23F4N5O2/c1-17-11-19(5-6-22(17)26(38)36-27(15-33)7-8-27)37-16-35-25-23(34-10-9-28(30,31)32)13-21(14-24(25)37)39-20-4-2-3-18(29)12-20/h2-6,11-14,16,34H,7-10H2,1H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 48.7n/an/an/an/an/an/a



Bayer Intellectual Property GmbH

US Patent


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


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


(Homo sapiens (Human))
BDBM236731
PNG
(US9388140, 73)
Show SMILES COc1cc(ccc1Oc1cc(NCCC(F)(F)F)c2ncn(-c3ccc(C(=O)NC4CC4)c(C)c3)c2c1)C#N
Show InChI InChI=1S/C29H26F3N5O3/c1-17-11-20(6-7-22(17)28(38)36-19-4-5-19)37-16-35-27-23(34-10-9-29(30,31)32)13-21(14-24(27)37)40-25-8-3-18(15-33)12-26(25)39-2/h3,6-8,11-14,16,19,34H,4-5,9-10H2,1-2H3,(H,36,38)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 52.2n/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))
BDBM236768
PNG
(US9388140, 113B)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCC3CCOCC3)cc(Oc3ccc(OC)c(SC)c3)cc12
Show InChI InChI=1S/C31H36N4O4S/c1-5-32-31(36)25-8-6-22(14-20(25)2)35-19-34-30-26(33-18-21-10-12-38-13-11-21)15-24(16-27(30)35)39-23-7-9-28(37-3)29(17-23)40-4/h6-9,14-17,19,21,33H,5,10-13,18H2,1-4H3,(H,32,36)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 54n/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))
BDBM236699
PNG
(US9388140, 40)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccccc3OC)cc12
Show InChI InChI=1S/C27H27F3N4O3/c1-4-31-26(35)20-10-9-18(13-17(20)2)34-16-33-25-21(32-12-11-27(28,29)30)14-19(15-22(25)34)37-24-8-6-5-7-23(24)36-3/h5-10,13-16,32H,4,11-12H2,1-3H3,(H,31,35)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 58.2n/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))
BDBM236706
PNG
(US9388140, 47)
Show SMILES CNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OCc4ccccc4)cc3)cc12
Show InChI InChI=1S/C32H29F3N4O3/c1-21-16-23(8-13-27(21)31(40)36-2)39-20-38-30-28(37-15-14-32(33,34)35)17-26(18-29(30)39)42-25-11-9-24(10-12-25)41-19-22-6-4-3-5-7-22/h3-13,16-18,20,37H,14-15,19H2,1-2H3,(H,36,40)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/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))
BDBM236705
PNG
(US9388140, 46)
Show SMILES CCNC(=O)c1ccc(cc1C)-n1cnc2c(NCCC(F)(F)F)cc(Oc3ccc(OCc4ccccc4)cc3)cc12
Show InChI InChI=1S/C33H31F3N4O3/c1-3-37-32(41)28-14-9-24(17-22(28)2)40-21-39-31-29(38-16-15-33(34,35)36)18-27(19-30(31)40)43-26-12-10-25(11-13-26)42-20-23-7-5-4-6-8-23/h4-14,17-19,21,38H,3,15-16,20H2,1-2H3,(H,37,41)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 100n/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%