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Compile Data Set for Download or QSAR

Found 167 hits with Last Name = 'bray' and Initial = 'mr'   
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))
BDBM50081537
PNG
(CHEMBL3422092)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29+/s2
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0.700n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate by Lineweaver-Burk plot analysis in prese...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
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0.770n/an/an/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Competitive inhibition of TTK (unknown origin) by double reciprocal plot analysis in presence of ATP


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183021
PNG
(CHEMBL3818646)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Show InChI InChI=1S/C28H28F2N6O3/c1-16-13-18(5-8-20(16)26(37)33-19-6-7-19)21-15-32-36-25(21)34-28(39-23-4-2-3-22(29)24(23)30)35-27(36)31-14-17-9-11-38-12-10-17/h2-5,8,13,15,17,19H,6-7,9-12,14H2,1H3,(H,33,37)(H,31,34,35)
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n/an/a 0.400n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183022
PNG
(CHEMBL3819019)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3cccc(F)c3)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-13-19(5-8-23(17)26(37)32-21-6-7-21)24-16-31-36-25(24)34-27(33-22-4-2-3-20(29)14-22)35-28(36)30-15-18-9-11-38-12-10-18/h2-5,8,13-14,16,18,21H,6-7,9-12,15H2,1H3,(H,32,37)(H2,30,33,34,35)
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n/an/a 0.700n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183023
PNG
(CHEMBL3819328)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Nc3ccccc3F)nc12
Show InChI InChI=1S/C28H30FN7O2/c1-17-14-19(6-9-21(17)26(37)32-20-7-8-20)22-16-31-36-25(22)34-27(33-24-5-3-2-4-23(24)29)35-28(36)30-15-18-10-12-38-13-11-18/h2-6,9,14,16,18,20H,7-8,10-13,15H2,1H3,(H,32,37)(H2,30,33,34,35)
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n/an/a 0.940n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081539
PNG
(CHEMBL3422104)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
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n/an/a 1n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged TTK using biotinylated PWDPDDADITEILG as substrate preincubated for 15 mins followe...


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081539
PNG
(CHEMBL3422104)
Show SMILES CC(C)CNc1nc(cn2c(cnc12)-c1ccc(cc1)C(=O)NC1CC1)-c1cccc2ncccc12
Show InChI InChI=1S/C29H28N6O/c1-18(2)15-31-27-28-32-16-26(19-8-10-20(11-9-19)29(36)33-21-12-13-21)35(28)17-25(34-27)23-5-3-7-24-22(23)6-4-14-30-24/h3-11,14,16-18,21H,12-13,15H2,1-2H3,(H,31,34)(H,33,36)
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n/an/a 1n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TTK


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081607
PNG
(CHEMBL3422080)
Show SMILES O=C(NCC1(CCCCC1)N1CCOCC1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1
Show InChI InChI=1/C31H39N5O3/c37-30(32-21-31(12-2-1-3-13-31)35-14-16-38-17-15-35)23-6-11-28-27(18-23)29(34-33-28)22-4-7-24(8-5-22)36-25-9-10-26(36)20-39-19-25/h4-8,11,18,25-26H,1-3,9-10,12-17,19-21H2,(H,32,37)(H,33,34)
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n/an/a 1.10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081597
PNG
(CHEMBL3422095)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ncccn1 |r,@:7|
Show InChI InChI=1/C31H34N6O2/c38-25-17-23-11-12-24(18-25)37(23)22-9-6-20(7-10-22)28-26-16-21(8-13-27(26)35-36-28)31(39)34-29(19-4-1-2-5-19)30-32-14-3-15-33-30/h3,6-10,13-16,19,23-25,29,38H,1-2,4-5,11-12,17-18H2,(H,34,39)(H,35,36)/t23-,24-,29-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081574
PNG
(CHEMBL3422086)
Show SMILES O=C(N[C@@H](C1CCCC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
Show InChI InChI=1/C31H33N5O2/c37-31(33-30(20-5-1-2-6-20)28-7-3-4-16-32-28)22-10-15-27-26(17-22)29(35-34-27)21-8-11-23(12-9-21)36-24-13-14-25(36)19-38-18-24/h3-4,7-12,15-17,20,24-25,30H,1-2,5-6,13-14,18-19H2,(H,33,37)(H,34,35)/t24?,25?,30-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081578
PNG
(CHEMBL3422091)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29-/s2
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n/an/a 1.20n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183019
PNG
(CHEMBL3819210)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C28H30N6O3/c1-18-15-20(7-10-23(18)26(35)31-21-8-9-21)24-17-30-34-25(24)32-28(37-22-5-3-2-4-6-22)33-27(34)29-16-19-11-13-36-14-12-19/h2-7,10,15,17,19,21H,8-9,11-14,16H2,1H3,(H,31,35)(H,29,32,33)
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n/an/a 1.40n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081609
PNG
(CHEMBL3422084)
Show SMILES O=C(N[C@@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
Show InChI InChI=1/C29H29N5O2/c35-29(31-28(19-4-5-19)26-3-1-2-14-30-26)20-8-13-25-24(15-20)27(33-32-25)18-6-9-21(10-7-18)34-22-11-12-23(34)17-36-16-22/h1-3,6-10,13-15,19,22-23,28H,4-5,11-12,16-17H2,(H,31,35)(H,32,33)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081600
PNG
(CHEMBL3422099)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](CC1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C31H33N5O2/c37-25-17-23-11-12-24(18-25)36(23)22-9-6-20(7-10-22)30-26-16-21(8-13-27(26)34-35-30)31(38)33-29(15-19-4-5-19)28-3-1-2-14-32-28/h1-3,6-10,13-14,16,19,23-25,29,37H,4-5,11-12,15,17-18H2,(H,33,38)(H,34,35)/t23-,24-,29+/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081578
PNG
(CHEMBL3422091)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29-/s2
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n/an/a 1.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183036
PNG
(CHEMBL3818403)
Show SMILES Clc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C27H27ClN6O3/c28-23-14-18(6-9-21(23)25(35)31-19-7-8-19)22-16-30-34-24(22)32-27(37-20-4-2-1-3-5-20)33-26(34)29-15-17-10-12-36-13-11-17/h1-6,9,14,16-17,19H,7-8,10-13,15H2,(H,31,35)(H,29,32,33)
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n/an/a 1.70n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081598
PNG
(CHEMBL3422097)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](CC(C)C)c1ccccn1 |r,@:7|
Show InChI InChI=1/C31H35N5O2/c1-19(2)15-29(28-5-3-4-14-32-28)33-31(38)21-8-13-27-26(16-21)30(35-34-27)20-6-9-22(10-7-20)36-23-11-12-24(36)18-25(37)17-23/h3-10,13-14,16,19,23-25,29,37H,11-12,15,17-18H2,1-2H3,(H,33,38)(H,34,35)/t23-,24-,29-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081595
PNG
(CHEMBL3422093)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C32H35N5O2/c38-26-18-24-13-14-25(19-26)37(24)23-11-8-21(9-12-23)30-27-17-22(10-15-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-16-33-29/h3-4,7-12,15-17,20,24-26,31,38H,1-2,5-6,13-14,18-19H2,(H,34,39)(H,35,36)/t24-,25-,31-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081552
PNG
(CHEMBL3422063)
Show SMILES CC[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(OC4CCN(C)CC4)cc3)c2c1)c1ccccc1Cl |r|
Show InChI InChI=1/C29H31ClN4O2/c1-3-26(23-6-4-5-7-25(23)30)31-29(35)20-10-13-27-24(18-20)28(33-32-27)19-8-11-21(12-9-19)36-22-14-16-34(2)17-15-22/h4-13,18,22,26H,3,14-17H2,1-2H3,(H,31,35)(H,32,33)/t26-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081573
PNG
(CHEMBL3422085)
Show SMILES O=C(N[C@H](C1CC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
Show InChI InChI=1/C29H29N5O2/c35-29(31-28(19-4-5-19)26-3-1-2-14-30-26)20-8-13-25-24(15-20)27(33-32-25)18-6-9-21(10-7-18)34-22-11-12-23(34)17-36-16-22/h1-3,6-10,13-15,19,22-23,28H,4-5,11-12,16-17H2,(H,31,35)(H,32,33)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081571
PNG
(CHEMBL3422083)
Show SMILES CC(C)[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1)c1ccccc1Cl |r|
Show InChI InChI=1/C30H31ClN4O2/c1-18(2)28(24-5-3-4-6-26(24)31)32-30(36)20-9-14-27-25(15-20)29(34-33-27)19-7-10-21(11-8-19)35-22-12-13-23(35)17-37-16-22/h3-11,14-15,18,22-23,28H,12-13,16-17H2,1-2H3,(H,32,36)(H,33,34)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081601
PNG
(CHEMBL3422102)
Show SMILES [H][C@]12COC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CCCC1)c1ccccn1 |r,@:8,THB:9:8:11:2.4.3|
Show InChI InChI=1/C32H35N5O3/c38-26-16-24-18-40-19-25(17-26)37(24)23-11-8-21(9-12-23)30-27-15-22(10-13-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-14-33-29/h3-4,7-15,20,24-26,31,38H,1-2,5-6,16-19H2,(H,34,39)(H,35,36)/t24-,25-,31-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183041
PNG
(CHEMBL3819003)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCCN3CCOCC3)nc(Oc3cccc(F)c3F)nc12
Show InChI InChI=1S/C28H29F2N7O3/c1-17-15-18(5-8-20(17)26(38)33-19-6-7-19)21-16-32-37-25(21)34-28(40-23-4-2-3-22(29)24(23)30)35-27(37)31-9-10-36-11-13-39-14-12-36/h2-5,8,15-16,19H,6-7,9-14H2,1H3,(H,33,38)(H,31,34,35)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183025
PNG
(CHEMBL3818533)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(OC3CCCC3)nc12
Show InChI InChI=1S/C27H34N6O3/c1-17-14-19(6-9-22(17)25(34)30-20-7-8-20)23-16-29-33-24(23)31-27(36-21-4-2-3-5-21)32-26(33)28-15-18-10-12-35-13-11-18/h6,9,14,16,18,20-21H,2-5,7-8,10-13,15H2,1H3,(H,30,34)(H,28,31,32)
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n/an/a 2.30n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081605
PNG
(CHEMBL3422077)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(C1CCC1)c1ccsc1)N2C=O |r|
Show InChI InChI=1/C31H32N4O3S/c36-18-35-23-7-8-24(35)16-26(15-23)38-25-9-4-20(5-10-25)30-27-14-21(6-11-28(27)33-34-30)31(37)32-29(19-2-1-3-19)22-12-13-39-17-22/h4-6,9-14,17-19,23-24,26,29H,1-3,7-8,15-16H2,(H,32,37)(H,33,34)/t23-,24+,26+,29?
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183027
PNG
(CHEMBL3817905)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCCC3)nc12
Show InChI InChI=1S/C28H37N7O2/c1-18-15-20(7-10-23(18)26(36)31-22-8-9-22)24-17-30-35-25(24)33-27(32-21-5-3-2-4-6-21)34-28(35)29-16-19-11-13-37-14-12-19/h7,10,15,17,19,21-22H,2-6,8-9,11-14,16H2,1H3,(H,31,36)(H2,29,32,33,34)
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n/an/a 2.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081551
PNG
(CHEMBL3422062)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccccc1
Show InChI InChI=1/C30H32N4O2/c1-34-17-15-25(16-18-34)36-24-12-9-22(10-13-24)29-26-19-23(11-14-27(26)32-33-29)30(35)31-28(21-7-8-21)20-5-3-2-4-6-20/h2-6,9-14,19,21,25,28H,7-8,15-18H2,1H3,(H,31,35)(H,32,33)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081556
PNG
(CHEMBL3422069)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CCCC1)c1ccsc1
Show InChI InChI=1/C30H34N4O2S/c1-34-15-12-25(13-16-34)36-24-9-6-21(7-10-24)29-26-18-22(8-11-27(26)32-33-29)30(35)31-28(20-4-2-3-5-20)23-14-17-37-19-23/h6-11,14,17-20,25,28H,2-5,12-13,15-16H2,1H3,(H,31,35)(H,32,33)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081541
PNG
(CHEMBL3422053)
Show SMILES CN(C)CCCc1ccc(cc1S(C)(=O)=O)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
Show InChI InChI=1/C29H35N5O3S2/c1-33(2)13-6-7-20-8-9-21(17-26(20)39(3,36)37)27-24-18-23(10-11-25(24)31-32-27)30-29(35)28(22-12-16-38-19-22)34-14-4-5-15-34/h8-12,16-19,28H,4-7,13-15H2,1-3H3,(H,30,35)(H,31,32)
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081537
PNG
(CHEMBL3422092)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29+/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081599
PNG
(CHEMBL3422098)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](CC(C)C)c1ccccn1 |r,@:7|
Show InChI InChI=1/C31H35N5O2/c1-19(2)15-29(28-5-3-4-14-32-28)33-31(38)21-8-13-27-26(16-21)30(35-34-27)20-6-9-22(10-7-20)36-23-11-12-24(36)18-25(37)17-23/h3-10,13-14,16,19,23-25,29,37H,11-12,15,17-18H2,1-2H3,(H,33,38)(H,34,35)/t23-,24-,29+/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081565
PNG
(CHEMBL3422075)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(C1CC1)c1ccccc1)N2C |r|
Show InChI InChI=1/C32H34N4O2/c1-36-24-12-13-25(36)19-27(18-24)38-26-14-9-22(10-15-26)31-28-17-23(11-16-29(28)34-35-31)32(37)33-30(21-7-8-21)20-5-3-2-4-6-20/h2-6,9-11,14-17,21,24-25,27,30H,7-8,12-13,18-19H2,1H3,(H,33,37)(H,34,35)/t24-,25+,27+,30?
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50170831
PNG
(CHEMBL188343 | N*6*-Cyclohexyl-N*2*-(4-morpholin-4...)
Show SMILES C1CCC(CC1)Nc1nc(Nc2ccc(cc2)N2CCOCC2)nc2nc[nH]c12
Show InChI InChI=1S/C21H27N7O/c1-2-4-15(5-3-1)24-20-18-19(23-14-22-18)26-21(27-20)25-16-6-8-17(9-7-16)28-10-12-29-13-11-28/h6-9,14-15H,1-5,10-13H2,(H3,22,23,24,25,26,27)
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n/an/a 2.80n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of human TTK-mediated MAD1/MAD2 complex phosphorylation after 1 hr by scintillation counting analysis in presence of gamma-[32P]ATP


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081612
PNG
(CHEMBL3422090)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CC1)c1ccccc1 |r,@:7|
Show InChI InChI=1/C31H32N4O2/c36-26-17-24-13-14-25(18-26)35(24)23-11-8-21(9-12-23)30-27-16-22(10-15-28(27)33-34-30)31(37)32-29(20-6-7-20)19-4-2-1-3-5-19/h1-5,8-12,15-16,20,24-26,29,36H,6-7,13-14,17-18H2,(H,32,37)(H,33,34)/t24-,25-,29+/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183024
PNG
(CHEMBL3819182)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnc2c(NCC3CCOCC3)cc(NC3CCCC3)nn12
Show InChI InChI=1S/C28H36N6O2/c1-18-14-20(6-9-23(18)28(35)32-22-7-8-22)25-17-30-27-24(29-16-19-10-12-36-13-11-19)15-26(33-34(25)27)31-21-4-2-3-5-21/h6,9,14-15,17,19,21-22,29H,2-5,7-8,10-13,16H2,1H3,(H,31,33)(H,32,35)
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n/an/a 2.80n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human N-terminal GST-tagged TTK using biotinylated PWDPDDADITEILG as substrate preincubated for 15 mins followe...


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50053304
PNG
(CHEMBL3330410)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
Show InChI InChI=1/C23H23N5O3S2/c24-33(30,31)18-5-3-4-15(12-18)21-19-13-17(6-7-20(19)26-27-21)25-23(29)22(16-8-11-32-14-16)28-9-1-2-10-28/h3-8,11-14,22H,1-2,9-10H2,(H,25,29)(H,26,27)(H2,24,30,31)
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n/an/a 2.90n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081546
PNG
(CHEMBL3422058)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(NC(=O)C(N3CCCC3)c3ccsc3)cc12
Show InChI InChI=1/C29H33N5O2S/c1-33-15-10-24(11-16-33)36-23-7-4-20(5-8-23)27-25-18-22(6-9-26(25)31-32-27)30-29(35)28(21-12-17-37-19-21)34-13-2-3-14-34/h4-9,12,17-19,24,28H,2-3,10-11,13-16H2,1H3,(H,30,35)(H,31,32)
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n/an/a 3n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081566
PNG
(CHEMBL3422078)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Oc1ccc(cc1)-c1n[nH]c3ccc(cc13)C(=O)NC(CC(C)C)c1ccccn1)N2C=O |r|
Show InChI InChI=1/C32H35N5O3/c1-20(2)15-30(29-5-3-4-14-33-29)34-32(39)22-8-13-28-27(16-22)31(36-35-28)21-6-11-25(12-7-21)40-26-17-23-9-10-24(18-26)37(23)19-38/h3-8,11-14,16,19-20,23-24,26,30H,9-10,15,17-18H2,1-2H3,(H,34,39)(H,35,36)/t23-,24+,26+,30?
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081537
PNG
(CHEMBL3422092)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C30H31N5O2/c36-24-16-22-11-12-23(17-24)35(22)21-9-6-18(7-10-21)28-25-15-20(8-13-26(25)33-34-28)30(37)32-29(19-4-5-19)27-3-1-2-14-31-27/h1-3,6-10,13-15,19,22-24,29,36H,4-5,11-12,16-17H2,(H,32,37)(H,33,34)/t22-,23-,29+/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081613
PNG
(CHEMBL3422096)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CCCC1)c1ncccn1 |r,@:7|
Show InChI InChI=1/C31H34N6O2/c38-25-17-23-11-12-24(18-25)37(23)22-9-6-20(7-10-22)28-26-16-21(8-13-27(26)35-36-28)31(39)34-29(19-4-1-2-5-19)30-32-14-3-15-33-30/h3,6-10,13-16,19,23-25,29,38H,1-2,4-5,11-12,17-18H2,(H,34,39)(H,35,36)/t23-,24-,29+/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081558
PNG
(CHEMBL3422071)
Show SMILES CN1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CCCC1)c1ccccn1
Show InChI InChI=1/C31H35N5O2/c1-36-18-15-25(16-19-36)38-24-12-9-22(10-13-24)29-26-20-23(11-14-27(26)34-35-29)31(37)33-30(21-6-2-3-7-21)28-8-4-5-17-32-28/h4-5,8-14,17,20-21,25,30H,2-3,6-7,15-16,18-19H2,1H3,(H,33,37)(H,34,35)
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n/an/a 4n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081633
PNG
(CHEMBL3422101)
Show SMILES [H][C@]12COC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](CC(C)C)c1ccccn1 |r,@:8,THB:9:8:11:2.4.3|
Show InChI InChI=1/C31H35N5O3/c1-19(2)13-29(28-5-3-4-12-32-28)33-31(38)21-8-11-27-26(14-21)30(35-34-27)20-6-9-22(10-7-20)36-23-15-25(37)16-24(36)18-39-17-23/h3-12,14,19,23-25,29,37H,13,15-18H2,1-2H3,(H,33,38)(H,34,35)/t23-,24-,29+/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081564
PNG
(CHEMBL3422074)
Show SMILES CN(C)CC(=O)N1CCC(CC1)Oc1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)NC(C1CC1)c1ccccc1
Show InChI InChI=1/C33H37N5O3/c1-37(2)21-30(39)38-18-16-27(17-19-38)41-26-13-10-24(11-14-26)32-28-20-25(12-15-29(28)35-36-32)33(40)34-31(23-8-9-23)22-6-4-3-5-7-22/h3-7,10-15,20,23,27,31H,8-9,16-19,21H2,1-2H3,(H,34,40)(H,35,36)
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n/an/a 4.10n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081596
PNG
(CHEMBL3422094)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@H](C1CCCC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C32H35N5O2/c38-26-18-24-13-14-25(19-26)37(24)23-11-8-21(9-12-23)30-27-17-22(10-15-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-16-33-29/h3-4,7-12,15-17,20,24-26,31,38H,1-2,5-6,13-14,18-19H2,(H,34,39)(H,35,36)/t24-,25-,31+/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081595
PNG
(CHEMBL3422093)
Show SMILES [H][C@]12CC[C@@]([H])(CC(O)C1)N2c1ccc(cc1)-c1n[nH]c2ccc(cc12)C(=O)N[C@@H](C1CCCC1)c1ccccn1 |r,@:7|
Show InChI InChI=1/C32H35N5O2/c38-26-18-24-13-14-25(19-26)37(24)23-11-8-21(9-12-23)30-27-17-22(10-15-28(27)35-36-30)32(39)34-31(20-5-1-2-6-20)29-7-3-4-16-33-29/h3-4,7-12,15-17,20,24-26,31,38H,1-2,5-6,13-14,18-19H2,(H,34,39)(H,35,36)/t24-,25-,31-/s2
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n/an/a 4.30n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081608
PNG
(CHEMBL3422081)
Show SMILES Fc1ccccc1[C@@H](NC(=O)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1)C1CC1 |r|
Show InChI InChI=1/C30H29FN4O2/c31-26-4-2-1-3-24(26)28(18-5-6-18)32-30(36)20-9-14-27-25(15-20)29(34-33-27)19-7-10-21(11-8-19)35-22-12-13-23(35)17-37-16-22/h1-4,7-11,14-15,18,22-23,28H,5-6,12-13,16-17H2,(H,32,36)(H,33,34)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081577
PNG
(CHEMBL3422087)
Show SMILES O=C(N[C@H](C1CCCC1)c1ccccn1)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1 |r|
Show InChI InChI=1/C31H33N5O2/c37-31(33-30(20-5-1-2-6-20)28-7-3-4-16-32-28)22-10-15-27-26(17-22)29(35-34-27)21-8-11-23(12-9-21)36-24-13-14-25(36)19-38-18-24/h3-4,7-12,15-17,20,24-25,30H,1-2,5-6,13-14,18-19H2,(H,33,37)(H,34,35)/t24?,25?,30-/s2
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n/an/a 4.60n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50081567
PNG
(CHEMBL3422082)
Show SMILES Fc1ccccc1[C@H](NC(=O)c1ccc2[nH]nc(-c3ccc(cc3)N3C4CCC3COC4)c2c1)C1CC1 |r|
Show InChI InChI=1/C30H29FN4O2/c31-26-4-2-1-3-24(26)28(18-5-6-18)32-30(36)20-9-14-27-25(15-20)29(34-33-27)19-7-10-21(11-8-19)35-22-12-13-23(35)17-37-16-22/h1-4,7-11,14-15,18,22-23,28H,5-6,12-13,16-17H2,(H,32,36)(H,33,34)/t22?,23?,28-/s2
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EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of amino terminal GST-fused full length human TTK using His6-SUMO-TTK-N as substrate preincubated for 15 mins prior to ATP addition by ind...


J Med Chem 58: 3366-92 (2015)


Article DOI: 10.1021/jm501740a
BindingDB Entry DOI: 10.7270/Q2Q52RCN
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183035
PNG
(CHEMBL3818766)
Show SMILES O=C(NC1CC1)c1ccc(cc1)-c1cnn2c(NCC3CCOCC3)nc(Oc3ccccc3)nc12
Show InChI InChI=1S/C27H28N6O3/c34-25(30-21-10-11-21)20-8-6-19(7-9-20)23-17-29-33-24(23)31-27(36-22-4-2-1-3-5-22)32-26(33)28-16-18-12-14-35-15-13-18/h1-9,17-18,21H,10-16H2,(H,30,34)(H,28,31,32)
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n/an/a 4.90n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
Dual specificity protein kinase TTK


(Homo sapiens (Human))
BDBM50183020
PNG
(CHEMBL3819637)
Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(NCC3CCOCC3)nc(NC3CCCC3)nc12
Show InChI InChI=1S/C27H35N7O2/c1-17-14-19(6-9-22(17)25(35)30-21-7-8-21)23-16-29-34-24(23)32-26(31-20-4-2-3-5-20)33-27(34)28-15-18-10-12-36-13-11-18/h6,9,14,16,18,20-21H,2-5,7-8,10-13,15H2,1H3,(H,30,35)(H2,28,31,32,33)
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n/an/a 5.80n/an/an/an/an/an/a



EntreMed Inc.

Curated by ChEMBL


Assay Description
Inhibition of TTK (unknown origin)


Bioorg Med Chem Lett 26: 3562-6 (2016)


BindingDB Entry DOI: 10.7270/Q28G8NNB
More data for this
Ligand-Target Pair
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