Found 174 hits of kd data for polymerid = 6217 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569991
(CHEMBL4877547)Show SMILES Cc1cc(ccc1C(=O)NC1CC1)-c1cnn2c(CC[C@H]3C[C@@](C)(O)C3)cc(Oc3cccnc3)nc12 |r,wU:22.24,wD:20.21,(19.38,-17.1,;18.9,-15.63,;17.39,-15.32,;16.91,-13.85,;17.93,-12.71,;19.43,-13.02,;19.92,-14.48,;21.43,-14.8,;22.45,-13.64,;21.92,-16.26,;23.42,-16.57,;24.58,-17.58,;24.89,-16.08,;15.4,-13.54,;14.77,-12.14,;13.24,-12.31,;12.93,-13.81,;11.6,-14.58,;10.27,-13.82,;8.94,-14.59,;8.94,-16.13,;7.85,-17.22,;8.94,-18.3,;8.17,-19.63,;9.7,-19.63,;10.03,-17.22,;11.6,-16.13,;12.94,-16.9,;12.93,-18.44,;14.27,-19.21,;14.26,-20.75,;15.59,-21.52,;16.93,-20.75,;16.92,-19.2,;15.59,-18.44,;14.27,-16.13,;14.27,-14.58,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.0710 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569978
(CHEMBL4845775)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(15.45,-18.34,;16.79,-17.58,;16.81,-16.04,;15.48,-15.26,;15.5,-13.72,;16.84,-12.96,;18.16,-13.75,;18.15,-15.29,;19.47,-16.07,;20.82,-15.31,;20.83,-13.77,;22.17,-13.02,;23.5,-13.8,;24.84,-13.04,;24.85,-11.5,;26.16,-13.83,;26.15,-15.37,;27.47,-16.15,;24.81,-16.12,;24.79,-17.66,;23.46,-18.42,;23.44,-19.96,;24.77,-20.74,;26.11,-19.99,;26.12,-18.45,;24.75,-22.28,;26.08,-23.07,;26.06,-24.61,;27.42,-22.31,;27.6,-20.78,;29.11,-20.47,;29.86,-21.82,;28.82,-22.94,;23.48,-15.34,;22.14,-16.09,;14.17,-12.94,;12.83,-13.7,;11.5,-12.92,;11.51,-11.38,;10.19,-10.59,;12.86,-10.62,;14.19,-11.4,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.120 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569979
(CHEMBL4875028)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(11.87,-16.49,;13.18,-15.69,;13.14,-14.15,;11.78,-13.41,;11.74,-11.87,;13.05,-11.07,;14.4,-11.8,;14.45,-13.34,;15.8,-14.07,;17.11,-13.27,;17.07,-11.73,;18.38,-10.92,;19.74,-11.65,;21.05,-10.84,;21.01,-9.3,;22.41,-11.58,;22.45,-13.12,;23.8,-13.85,;21.14,-13.92,;21.18,-15.46,;19.87,-16.27,;19.91,-17.81,;21.26,-18.54,;22.57,-17.74,;22.53,-16.2,;21.3,-20.08,;22.66,-20.82,;22.7,-22.36,;23.97,-20.01,;23.93,-18.47,;25.24,-17.67,;26.6,-18.39,;26.64,-19.93,;25.33,-20.74,;19.78,-13.19,;18.47,-13.99,;10.39,-11.14,;9.07,-11.94,;7.71,-11.21,;7.67,-9.68,;6.32,-8.94,;8.98,-8.87,;10.34,-9.6,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.150 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569990
(CHEMBL4858486)Show SMILES COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(16.39,-16.35,;17.73,-15.58,;17.73,-14.04,;16.41,-13.27,;16.41,-11.73,;17.75,-10.96,;19.08,-11.74,;19.08,-13.28,;20.41,-14.06,;21.74,-13.29,;21.75,-11.75,;23.08,-10.99,;24.42,-11.77,;25.76,-11.01,;27.09,-11.78,;28.42,-11.03,;27.08,-13.32,;28.4,-14.11,;25.74,-14.09,;25.73,-15.63,;24.39,-16.39,;24.38,-17.93,;25.71,-18.71,;27.05,-17.94,;27.06,-16.4,;25.7,-20.25,;27.03,-21.02,;27.02,-22.56,;28.37,-20.27,;28.38,-18.73,;29.71,-17.96,;31.05,-18.74,;31.03,-20.28,;29.7,-21.04,;24.41,-13.31,;23.07,-14.07,;15.08,-10.95,;13.75,-11.71,;12.42,-10.93,;12.43,-9.39,;11.1,-8.62,;13.77,-8.63,;15.1,-9.41,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569989
(CHEMBL4870223)Show SMILES COc1cc(ccc1Nc1ncc2cc(C)c(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CCCC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(17.33,-15.64,;18.66,-14.88,;18.67,-13.34,;17.34,-12.56,;17.35,-11.02,;18.7,-10.26,;20.03,-11.04,;20.01,-12.58,;21.34,-13.36,;22.68,-12.59,;22.69,-11.05,;24.03,-10.3,;25.36,-11.08,;26.7,-10.32,;28.03,-11.1,;29.37,-10.33,;28.01,-12.64,;29.34,-13.41,;26.67,-13.4,;26.67,-14.94,;25.33,-15.7,;25.31,-17.24,;26.65,-18.02,;27.98,-17.26,;27.99,-15.72,;26.63,-19.56,;27.96,-20.34,;27.95,-21.88,;29.29,-19.57,;29.47,-18.05,;30.98,-17.74,;31.74,-19.07,;30.7,-20.21,;25.35,-12.62,;24.01,-13.38,;16.03,-10.24,;14.69,-11,;13.36,-10.22,;13.37,-8.68,;12.04,-7.9,;14.72,-7.92,;16.04,-8.7,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.170 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569977
(CHEMBL4846040)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C(C)(C)C)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(18.61,-17.97,;19.95,-17.23,;19.98,-15.69,;18.66,-14.89,;18.68,-13.35,;20.03,-12.61,;21.35,-13.4,;21.33,-14.94,;22.64,-15.73,;23.99,-14.99,;24.02,-13.45,;25.36,-12.69,;26.69,-13.49,;28.03,-12.74,;28.06,-11.2,;29.35,-13.53,;29.33,-15.07,;30.65,-15.86,;27.98,-15.82,;27.95,-17.36,;26.61,-18.11,;26.59,-19.65,;27.9,-20.44,;29.25,-19.69,;29.27,-18.15,;27.88,-21.98,;29.2,-22.77,;29.17,-24.31,;30.54,-22.02,;29.76,-20.68,;31.31,-20.68,;31.87,-22.81,;26.66,-15.03,;25.32,-15.77,;17.36,-12.56,;16.01,-13.31,;14.7,-12.52,;14.72,-10.98,;13.4,-10.19,;16.07,-10.23,;17.39,-11.02,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569988
(CHEMBL4869527)Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2cc(C)c1=O |r,wU:8.11,5.4,(31.37,-19.77,;31.4,-21.31,;30.07,-22.1,;30.1,-23.64,;28.73,-21.35,;28.71,-19.82,;27.36,-19.06,;27.34,-17.52,;28.67,-16.74,;30,-17.48,;30.03,-19.02,;28.64,-15.19,;27.3,-14.44,;25.98,-15.23,;24.63,-14.48,;23.3,-15.26,;21.96,-14.51,;21.94,-12.97,;20.6,-12.22,;19.27,-13.01,;19.3,-14.55,;20.64,-15.3,;20.67,-16.84,;19.34,-17.63,;17.93,-12.26,;16.61,-13.05,;15.26,-12.3,;15.24,-10.76,;13.89,-10.01,;16.56,-9.97,;17.91,-10.73,;24.61,-12.94,;25.93,-12.15,;27.27,-12.9,;28.6,-12.11,;29.94,-12.87,;31.26,-12.07,;29.96,-14.41,;31.31,-15.15,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569981
(CHEMBL4868353)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)c3ccccc3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(27.01,-14.68,;28.34,-13.91,;28.33,-12.37,;27,-11.6,;26.99,-10.06,;28.33,-9.29,;29.66,-10.05,;29.67,-11.59,;31.01,-12.35,;32.33,-11.58,;32.33,-10.04,;33.66,-9.27,;35,-10.03,;36.33,-9.26,;36.32,-7.72,;37.66,-10.02,;37.67,-11.56,;39,-12.33,;36.34,-12.34,;36.34,-13.88,;35.01,-14.65,;35.02,-16.19,;36.35,-16.96,;37.69,-16.18,;37.68,-14.64,;36.36,-18.5,;37.69,-19.26,;37.7,-20.8,;39.03,-18.49,;39.02,-16.95,;40.35,-16.18,;41.69,-16.94,;41.69,-18.48,;40.36,-19.26,;35,-11.57,;33.67,-12.35,;25.65,-9.3,;24.33,-10.07,;22.99,-9.31,;22.99,-7.77,;21.65,-7,;24.32,-6.99,;25.65,-7.76,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569975
(CHEMBL4860430)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C3CC3)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(19.69,-19.78,;21.01,-18.98,;20.99,-17.44,;19.64,-16.7,;19.61,-15.16,;20.93,-14.36,;22.27,-15.11,;22.31,-16.65,;23.65,-17.39,;24.97,-16.59,;24.94,-15.05,;26.26,-14.26,;27.61,-15.01,;28.93,-14.21,;28.9,-12.67,;30.28,-14.96,;30.31,-16.5,;31.65,-17.25,;28.99,-17.29,;29.01,-18.83,;27.7,-19.63,;27.73,-21.17,;29.07,-21.91,;30.39,-21.12,;30.36,-19.58,;29.09,-23.46,;30.44,-24.2,;30.47,-25.74,;31.77,-23.41,;32.51,-22.06,;33.31,-23.38,;27.64,-16.55,;26.32,-17.34,;18.26,-14.41,;16.94,-15.21,;15.59,-14.46,;15.57,-12.92,;14.22,-12.18,;16.88,-12.13,;18.23,-12.87,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569984
(CHEMBL4866294)Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2ccc1=O |r,wU:8.11,5.4,(20.22,-28.6,;20.22,-30.14,;18.87,-30.9,;18.86,-32.44,;17.54,-30.12,;17.55,-28.58,;16.22,-27.8,;16.23,-26.26,;17.58,-25.5,;18.91,-26.28,;18.9,-27.82,;17.59,-23.96,;16.26,-23.18,;14.92,-23.94,;13.6,-23.16,;12.26,-23.92,;10.92,-23.14,;10.94,-21.6,;9.61,-20.82,;8.27,-21.58,;8.26,-23.12,;9.59,-23.9,;9.58,-25.44,;8.23,-26.2,;6.94,-20.8,;5.6,-21.56,;4.28,-20.78,;4.28,-19.24,;2.96,-18.46,;5.62,-18.48,;6.95,-19.26,;13.61,-21.62,;14.94,-20.86,;16.27,-21.64,;17.62,-20.88,;18.93,-21.66,;18.93,-23.2,;20.25,-23.98,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569976
(CHEMBL4867504)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C(C)C)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(17.49,-16.86,;18.83,-16.09,;18.83,-14.55,;17.5,-13.78,;17.5,-12.24,;18.84,-11.47,;20.17,-12.25,;20.17,-13.79,;21.5,-14.55,;22.83,-13.79,;22.84,-12.25,;24.18,-11.49,;25.5,-12.26,;26.84,-11.49,;26.85,-9.95,;28.17,-12.27,;28.17,-13.81,;29.5,-14.58,;26.83,-14.57,;26.83,-16.11,;25.49,-16.88,;25.48,-18.42,;26.82,-19.19,;28.16,-18.43,;28.16,-16.89,;26.82,-20.73,;28.14,-21.51,;28.14,-23.05,;29.48,-20.74,;29.49,-19.2,;30.81,-21.52,;25.5,-13.8,;24.16,-14.57,;16.17,-11.46,;14.84,-12.23,;13.5,-11.46,;13.51,-9.92,;12.18,-9.14,;14.84,-9.15,;16.17,-9.92,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569980
(CHEMBL4873395)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)C34CC5CC(CC(C5)C3)C4)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,TLB:26:28:31:35.33.34,THB:33:32:29:35.34.36,33:34:31.32.37:29,36:34:31:37.28.29,36:28:31:35.33.34,(12.65,-13.19,;13.97,-12.39,;13.95,-10.85,;12.6,-10.1,;12.59,-8.56,;13.9,-7.77,;15.25,-8.52,;15.27,-10.06,;16.61,-10.81,;17.93,-10.02,;17.91,-8.48,;19.22,-7.69,;20.57,-8.45,;21.9,-7.65,;21.87,-6.11,;23.25,-8.41,;23.27,-9.95,;24.61,-10.7,;21.94,-10.74,;21.97,-12.28,;20.64,-13.07,;20.66,-14.62,;22.01,-15.37,;23.33,-14.58,;23.31,-13.03,;22.03,-16.91,;23.38,-17.66,;24.7,-16.87,;23.4,-19.2,;22.12,-19.66,;22.12,-21.06,;20.99,-22.28,;22.42,-21.88,;23.75,-22.42,;24.71,-21.21,;23.39,-21.54,;24.73,-19.75,;22.41,-20.37,;20.6,-9.99,;19.27,-10.78,;11.23,-7.8,;9.91,-8.59,;8.56,-7.85,;8.54,-6.3,;7.19,-5.55,;9.86,-5.51,;11.22,-6.27,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.560 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569971
(CHEMBL4869142)Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3C)N3CCN(C)CC3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(27.61,-17.45,;27.62,-18.99,;26.28,-19.75,;26.28,-21.29,;24.94,-18.99,;24.94,-17.45,;23.6,-16.69,;23.6,-15.15,;24.93,-14.37,;26.27,-15.13,;26.27,-16.67,;24.93,-12.83,;23.59,-12.07,;22.25,-12.84,;20.92,-12.08,;19.59,-12.85,;18.26,-12.08,;18.25,-10.54,;16.92,-9.78,;15.58,-10.56,;15.58,-12.1,;16.92,-12.86,;16.92,-14.4,;14.24,-9.79,;12.91,-10.56,;11.58,-9.8,;11.57,-8.26,;10.24,-7.5,;12.9,-7.48,;14.23,-8.25,;20.91,-10.54,;22.25,-9.76,;23.59,-10.53,;24.92,-9.75,;24.91,-8.21,;26.25,-10.51,;26.25,-12.05,;27.59,-12.82,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569969
(CHEMBL4857210)Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(32.47,-21.95,;32.48,-23.49,;31.15,-24.27,;31.17,-25.81,;29.81,-23.52,;29.8,-21.98,;28.46,-21.22,;28.44,-19.68,;29.77,-18.9,;31.11,-19.65,;31.12,-21.19,;29.76,-17.36,;28.42,-16.6,;27.09,-17.38,;25.75,-16.61,;24.42,-17.4,;23.08,-16.64,;23.07,-15.1,;21.73,-14.34,;20.4,-15.12,;20.42,-16.66,;21.75,-17.42,;21.77,-18.96,;20.44,-19.74,;19.06,-14.37,;17.73,-15.15,;16.39,-14.39,;16.38,-12.85,;15.04,-12.09,;17.71,-12.07,;19.04,-12.83,;25.73,-15.07,;27.06,-14.29,;28.41,-15.06,;29.73,-14.28,;29.72,-12.74,;31.07,-15.03,;31.09,-16.57,;32.42,-17.33,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human TTK expressed in bacterial expression system assessed as dissociation constant at 100 nM by biochemical assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01768
BindingDB Entry DOI: 10.7270/Q2V128PR |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569969
(CHEMBL4857210)Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(32.47,-21.95,;32.48,-23.49,;31.15,-24.27,;31.17,-25.81,;29.81,-23.52,;29.8,-21.98,;28.46,-21.22,;28.44,-19.68,;29.77,-18.9,;31.11,-19.65,;31.12,-21.19,;29.76,-17.36,;28.42,-16.6,;27.09,-17.38,;25.75,-16.61,;24.42,-17.4,;23.08,-16.64,;23.07,-15.1,;21.73,-14.34,;20.4,-15.12,;20.42,-16.66,;21.75,-17.42,;21.77,-18.96,;20.44,-19.74,;19.06,-14.37,;17.73,-15.15,;16.39,-14.39,;16.38,-12.85,;15.04,-12.09,;17.71,-12.07,;19.04,-12.83,;25.73,-15.07,;27.06,-14.29,;28.41,-15.06,;29.73,-14.28,;29.72,-12.74,;31.07,-15.03,;31.09,-16.57,;32.42,-17.33,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.710 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569974
(CHEMBL4861308)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(C)=O)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(20.4,-19.86,;21.73,-19.08,;21.73,-17.54,;20.39,-16.78,;20.38,-15.24,;21.71,-14.46,;23.05,-15.23,;23.06,-16.77,;24.39,-17.52,;25.72,-16.75,;25.72,-15.21,;27.05,-14.43,;28.38,-15.2,;29.71,-14.42,;29.71,-12.88,;31.05,-15.18,;31.06,-16.72,;32.4,-17.48,;29.73,-17.5,;29.74,-19.04,;28.41,-19.82,;28.42,-21.36,;29.75,-22.12,;31.08,-21.34,;31.08,-19.8,;29.77,-23.66,;31.1,-24.42,;31.11,-25.96,;32.43,-23.64,;28.39,-16.74,;27.06,-17.51,;19.04,-14.47,;17.71,-15.25,;16.38,-14.49,;16.37,-12.95,;15.03,-12.19,;17.7,-12.17,;19.04,-12.93,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.720 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50579637
(CHEMBL4878958)Show SMILES COc1ncc-2cc1NS(=O)(=O)c1ccc(F)c(c1)C(=O)NCc1ccc(s1)-c1ncnc3c(C)c-2sc13 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to TTK (unknown origin) |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.1c00412
BindingDB Entry DOI: 10.7270/Q2FX7F91 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569982
(CHEMBL4859914)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NC(=O)c3cccc4ccccc34)c2n1)N1CCN(C)CC1 |r,wU:19.19,22.26,(30.79,-26.87,;32.13,-26.1,;32.14,-24.56,;30.81,-23.79,;30.82,-22.25,;32.16,-21.48,;33.49,-22.26,;33.48,-23.8,;34.81,-24.58,;36.15,-23.81,;36.15,-22.27,;37.49,-21.51,;38.82,-22.28,;40.16,-21.52,;40.17,-19.98,;41.49,-22.31,;41.48,-23.85,;42.81,-24.62,;40.14,-24.6,;40.13,-26.14,;38.8,-26.9,;38.79,-28.44,;40.12,-29.22,;41.46,-28.47,;41.46,-26.93,;40.11,-30.76,;41.44,-31.55,;41.43,-33.09,;42.77,-30.78,;42.79,-29.24,;44.12,-28.48,;45.45,-29.25,;45.45,-30.79,;46.78,-31.57,;46.76,-33.11,;45.43,-33.87,;44.1,-33.1,;44.1,-31.56,;38.81,-23.82,;37.48,-24.59,;29.49,-21.47,;28.15,-22.24,;26.82,-21.46,;26.83,-19.92,;25.5,-19.13,;28.17,-19.16,;29.5,-19.93,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569985
(CHEMBL4874692)Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(CC)cc1=O |r,wU:8.11,5.4,(26.59,-17.84,;26.61,-19.38,;25.28,-20.16,;25.3,-21.7,;23.94,-19.4,;23.93,-17.86,;22.59,-17.11,;22.57,-15.56,;23.9,-14.78,;25.24,-15.54,;25.25,-17.08,;23.88,-13.24,;22.54,-12.48,;21.22,-13.27,;19.87,-12.51,;18.54,-13.29,;17.2,-12.54,;17.19,-11,;15.85,-10.24,;14.52,-11.02,;14.54,-12.56,;15.88,-13.32,;15.89,-14.86,;14.57,-15.64,;13.17,-10.26,;11.85,-11.05,;10.51,-10.29,;10.49,-8.75,;9.15,-8,;11.82,-7.97,;13.16,-8.72,;19.85,-10.97,;21.18,-10.19,;22.53,-10.94,;23.85,-10.16,;23.84,-8.62,;25.16,-7.84,;25.19,-10.92,;25.21,-12.46,;26.55,-13.22,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569970
(CHEMBL4850608)Show SMILES CCC(=O)N[C@H]1CC[C@@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r,wU:5.4,wD:8.11,(29.6,-20.19,;29.58,-21.73,;28.24,-22.49,;28.23,-24.03,;26.92,-21.71,;26.93,-20.17,;25.6,-19.39,;25.62,-17.85,;26.96,-17.09,;28.28,-17.87,;28.27,-19.41,;26.97,-15.55,;25.64,-14.77,;24.3,-15.52,;22.97,-14.74,;21.63,-15.5,;20.3,-14.72,;20.32,-13.18,;18.99,-12.39,;17.65,-13.15,;17.64,-14.69,;18.96,-15.48,;18.95,-17.02,;17.61,-17.77,;16.33,-12.37,;14.98,-13.13,;13.66,-12.35,;13.67,-10.81,;12.35,-10.02,;15.01,-10.05,;16.34,-10.83,;22.99,-13.2,;24.33,-12.44,;25.66,-13.22,;27,-12.46,;27.01,-10.92,;28.32,-13.25,;28.31,-14.79,;29.64,-15.57,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569973
(CHEMBL4863607)Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(C)c3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(45.43,-27.67,;45.45,-29.21,;44.12,-30,;44.15,-31.54,;42.78,-29.24,;42.76,-27.7,;41.42,-26.95,;41.4,-25.41,;42.72,-24.62,;44.06,-25.38,;44.08,-26.92,;42.7,-23.08,;41.36,-22.33,;40.04,-23.12,;38.69,-22.37,;37.36,-23.15,;36.02,-22.4,;36.01,-20.86,;34.66,-20.11,;33.33,-20.9,;31.99,-20.15,;30.67,-20.93,;29.32,-20.18,;29.3,-18.64,;27.96,-17.89,;30.63,-17.86,;31.97,-18.61,;33.36,-22.44,;32.04,-23.23,;34.7,-23.19,;38.67,-20.83,;39.99,-20.04,;41.33,-20.79,;42.66,-20,;42.64,-18.46,;44.01,-20.76,;44.03,-22.3,;45.37,-23.05,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569972
(CHEMBL4853778)Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(N4CCN(C)CC4)c(OC)c3)ncc2c(C)cc1=O |r,wU:8.11,5.4,(29.71,-18.42,;29.7,-19.96,;28.37,-20.73,;28.37,-22.27,;27.04,-19.96,;27.04,-18.42,;25.71,-17.65,;25.71,-16.11,;27.04,-15.34,;28.38,-16.11,;28.37,-17.65,;27.05,-13.8,;25.71,-13.03,;24.38,-13.79,;23.05,-13.02,;21.71,-13.79,;20.38,-13.01,;20.38,-11.47,;19.05,-10.71,;17.71,-11.47,;16.38,-10.7,;15.05,-11.47,;13.71,-10.69,;13.72,-9.15,;12.38,-8.38,;15.05,-8.39,;16.38,-9.16,;17.71,-13.01,;16.38,-13.78,;15.05,-13.01,;19.04,-13.79,;23.05,-11.48,;24.38,-10.71,;25.72,-11.49,;27.05,-10.72,;27.06,-9.18,;28.38,-11.49,;28.38,-13.03,;29.71,-13.8,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM253941
(US9464092, GG | US9527857, GG)Show SMILES CC(C)N1CCN(CC1)c1ccc(Nc2ncc3cc4C(=O)NCC5(CCCCC5)n4c3n2)nc1 Show InChI InChI=1S/C26H34N8O/c1-18(2)32-10-12-33(13-11-32)20-6-7-22(27-16-20)30-25-28-15-19-14-21-24(35)29-17-26(8-4-3-5-9-26)34(21)23(19)31-25/h6-7,14-16,18H,3-5,8-13,17H2,1-2H3,(H,29,35)(H,27,28,30,31) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.20 | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description
Binding affinity to TTK (unknown origin) |
Bioorg Med Chem Lett 29: (2019)
Article DOI: 10.1016/j.bmcl.2019.126637
BindingDB Entry DOI: 10.7270/Q23F4T3T |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569983
(CHEMBL4870731)Show SMILES COc1cc(ccc1Nc1ncc2c(C)cc(=O)n([C@@H]3CC[C@@H](CC3)NCC3CC3)c2n1)N1CCN(C)CC1 |r,wU:22.26,19.19,(9.04,-26.26,;10.37,-25.49,;10.35,-23.95,;9.01,-23.18,;9,-21.64,;10.33,-20.86,;11.67,-21.62,;11.68,-23.16,;13.02,-23.93,;14.35,-23.14,;14.34,-21.6,;15.66,-20.82,;17.01,-21.58,;18.34,-20.8,;18.32,-19.26,;19.67,-21.57,;19.68,-23.11,;21.03,-23.87,;18.35,-23.89,;18.37,-25.43,;17.04,-26.2,;17.05,-27.74,;18.39,-28.51,;19.71,-27.73,;19.71,-26.19,;18.39,-30.05,;19.74,-30.81,;19.75,-32.35,;20.52,-33.68,;18.98,-33.69,;17.02,-23.12,;15.69,-23.91,;7.66,-20.88,;6.33,-21.65,;4.99,-20.9,;4.99,-19.36,;3.64,-18.59,;6.32,-18.57,;7.65,-19.34,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50308060
(16-hydroxy-16-(hydroxymethyl)-15-methyl-28-oxa-4,1...)Show SMILES C[C@]12O[C@H](C[C@]1(O)CO)n1c3ccccc3c3c4C(=O)NCc4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C26H21N3O4/c1-25-26(32,12-30)10-18(33-25)28-16-8-4-2-6-13(16)20-21-15(11-27-24(21)31)19-14-7-3-5-9-17(14)29(25)23(19)22(20)28/h2-9,18,30,32H,10-12H2,1H3,(H,27,31)/t18-,25+,26+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 6.5 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to TTK |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569986
(CHEMBL4853433)Show SMILES CCC(=O)N[C@H]1CC[C@H](CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(cc1=O)C1CC1 |r,wU:8.11,5.4,(31.93,-16.84,;31.94,-18.38,;30.61,-19.15,;30.62,-20.69,;29.27,-18.4,;29.26,-16.86,;27.92,-16.09,;27.91,-14.55,;29.24,-13.78,;30.58,-14.53,;30.59,-16.07,;29.23,-12.24,;27.89,-11.47,;26.56,-12.25,;25.23,-11.49,;23.9,-12.26,;22.56,-11.51,;22.55,-9.97,;21.21,-9.2,;19.88,-9.99,;19.89,-11.53,;21.23,-12.28,;21.24,-13.82,;19.91,-14.61,;18.54,-9.22,;17.21,-10,;15.87,-9.24,;15.86,-7.7,;14.53,-6.93,;17.19,-6.92,;18.53,-7.68,;25.21,-9.95,;26.55,-9.17,;27.88,-9.93,;29.21,-9.16,;30.55,-9.91,;30.56,-11.45,;31.9,-12.22,;29.21,-7.61,;28.42,-6.28,;29.96,-6.27,)| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569968
(CHEMBL4859127)Show SMILES CCC(=O)N1CCC(CC1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50026612
(BIBF-1120 | Nintedanib | US10981896, Compound Nint...)Show SMILES COC(=O)c1ccc2\C(=C(\Nc3ccc(cc3)N(C)C(=O)CN3CCN(C)CC3)c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C31H33N5O4/c1-34-15-17-36(18-16-34)20-27(37)35(2)24-12-10-23(11-13-24)32-29(21-7-5-4-6-8-21)28-25-14-9-22(31(39)40-3)19-26(25)33-30(28)38/h4-14,19,32H,15-18,20H2,1-3H3,(H,33,38)/b29-28- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| Article
PubMed
| n/a | n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM36486
(9-Cyclopentyl-2-(2-ethoxy-4-(4-hydroxypiperidin-1-...)Show SMILES CCOc1cc(ccc1Nc1ncc2N(C)C(=O)CCN(C3CCCC3)c2n1)N1CCC(O)CC1 Show InChI InChI=1S/C26H36N6O3/c1-3-35-23-16-19(31-13-10-20(33)11-14-31)8-9-21(23)28-26-27-17-22-25(29-26)32(18-6-4-5-7-18)15-12-24(34)30(22)2/h8-9,16-18,20,33H,3-7,10-15H2,1-2H3,(H,27,28,29) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 145 | 26 | n/a | n/a | n/a | n/a | n/a |
Harvard Medical School
| Assay Description
In vitro biochemical assays were performed in parallel to determine the most potent tool compound. |
Chem Biol 18: 868-79 (2011)
Article DOI: 10.1016/j.chembiol.2011.05.010
BindingDB Entry DOI: 10.7270/Q2HD7T57 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50355499
(CHEMBL1908395 | CHEMBL1908842)Show SMILES CN(C)CC(=O)N1CCC(CC1)c1ccc(NC(=O)c2ncc([nH]2)C#N)c(c1)C1=CCCCC1 |t:31| Show InChI InChI=1S/C26H32N6O2/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM482158
(BDBM50242742 | TAE684)Show SMILES COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)N1CCC(CC1)N1CCN(C)CC1 Show InChI InChI=1S/C30H40ClN7O3S/c1-21(2)42(39,40)28-8-6-5-7-26(28)33-29-24(31)20-32-30(35-29)34-25-10-9-23(19-27(25)41-4)37-13-11-22(12-14-37)38-17-15-36(3)16-18-38/h5-10,19-22H,11-18H2,1-4H3,(H2,32,33,34,35) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM31096
(CHEMBL290084 | Staurosporine | cid_451705)Show SMILES CN[C@H]1C[C@@H]2O[C@](C)([C@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2Z60MFN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding affinity to TTK |
Blood 114: 2984-92 (2009)
Article DOI: 10.1182/blood-2009-05-222034
BindingDB Entry DOI: 10.7270/Q2PN95V2 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM4814
(CHEMBL535 | N-[2-(diethylamino)ethyl]-5-[(Z)-(5-fl...)Show SMILES CCN(CC)CCNC(=O)c1c(C)[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c1C Show InChI InChI=1S/C22H27FN4O2/c1-5-27(6-2)10-9-24-22(29)20-13(3)19(25-14(20)4)12-17-16-11-15(23)7-8-18(16)26-21(17)28/h7-8,11-12,25H,5-6,9-10H2,1-4H3,(H,24,29)(H,26,28)/b17-12- | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2Z60MFN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM27817
(2-{[2-({1-[2-(dimethylamino)acetyl]-5-methoxy-2,3-...)Show SMILES CNC(=O)c1c(F)cccc1Nc1nc(Nc2cc3N(CCc3cc2OC)C(=O)CN(C)C)nc2[nH]ccc12 Show InChI InChI=1S/C27H29FN8O3/c1-29-26(38)23-17(28)6-5-7-18(23)31-25-16-8-10-30-24(16)33-27(34-25)32-19-13-20-15(12-21(19)39-4)9-11-36(20)22(37)14-35(2)3/h5-8,10,12-13H,9,11,14H2,1-4H3,(H,29,38)(H3,30,31,32,33,34) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50131843
(CHEMBL3633152)Show SMILES COc1cc(OCCN(C)C)ccc1Nc1ncc2c(C)cc(=O)n(-c3cccc(NC(=O)C=C)c3)c2n1 Show InChI InChI=1S/C28H30N6O4/c1-6-25(35)30-19-8-7-9-20(15-19)34-26(36)14-18(2)22-17-29-28(32-27(22)34)31-23-11-10-21(16-24(23)37-5)38-13-12-33(3)4/h6-11,14-17H,1,12-13H2,2-5H3,(H,30,35)(H,29,31,32) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a |
Amgen Inc.
Curated by ChEMBL
| Assay Description
Binding affinity against delta opioid receptor in mouse hot plate test |
ACS Med Chem Lett 6: 987-92 (2015)
Article DOI: 10.1021/acsmedchemlett.5b00193
BindingDB Entry DOI: 10.7270/Q21C1ZPN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50024294
(SP-600125)Show InChI InChI=1S/C14H8N2O/c17-14-9-5-2-1-4-8(9)13-12-10(14)6-3-7-11(12)15-16-13/h1-7,17H | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Average Binding Constant for TTK; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM2579
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
KEGG
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Average Binding Constant for TTK; NA=Not Active at 10 uM |
Nat Biotechnol 23: 329-36 (2005)
Article DOI: 10.1038/nbt1068
BindingDB Entry DOI: 10.7270/Q2V69J3T |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50355496
(CHEMBL1908397)Show SMILES O=C(N1CCNCC1)c1ccc(\C=C\c2n[nH]c3ccccc23)cc1 Show InChI InChI=1S/C20H20N4O/c25-20(24-13-11-21-12-14-24)16-8-5-15(6-9-16)7-10-19-17-3-1-2-4-18(17)22-23-19/h1-10,21H,11-14H2,(H,22,23)/b10-7+ | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50569992
(CHEMBL4853927)Show SMILES CCC(=O)N1CC[C@@H](C1)n1c2nc(Nc3ccc(cc3OC)N3CCN(C)CC3)ncc2c(C)cc1=O |r| | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 145 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to wild-type human partial length TTK (N505 to V798 residues) expressed in bacterial expression system by active site-directed compe... |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.113023
BindingDB Entry DOI: 10.7270/Q2GM8C33 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 29: 1046-51 (2011)
Article DOI: 10.1038/nbt.1990
BindingDB Entry DOI: 10.7270/Q25D8S70 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2Z60MFN |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM26474
(5-({4-[(2,3-dimethyl-2H-indazol-6-yl)(methyl)amino...)Show SMILES CN(c1ccc2c(C)n(C)nc2c1)c1ccnc(Nc2ccc(C)c(c2)S(N)(=O)=O)n1 Show InChI InChI=1S/C21H23N7O2S/c1-13-5-6-15(11-19(13)31(22,29)30)24-21-23-10-9-20(25-21)27(3)16-7-8-17-14(2)28(4)26-18(17)12-16/h5-12H,1-4H3,(H2,22,29,30)(H,23,24,25) | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
DrugBank
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by ChEMBL
| Assay Description
Binding constant for TTK kinase domain |
Nat Biotechnol 26: 127-32 (2008)
Article DOI: 10.1038/nbt1358
BindingDB Entry DOI: 10.7270/Q2TT4RX2 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM31095
(5-[(Z)-(5-fluoranyl-2-oxidanylidene-1H-indol-3-yli...)Show SMILES Cc1[nH]c(\C=C2/C(=O)Nc3ccc(F)cc23)c(C)c1C(=O)NC[C@H](O)CN1CCOCC1 Show InChI InChI=1S/C23H27FN4O4/c1-13-20(10-18-17-9-15(24)3-4-19(17)27-22(18)30)26-14(2)21(13)23(31)25-11-16(29)12-28-5-7-32-8-6-28/h3-4,9-10,16,26,29H,5-8,11-12H2,1-2H3,(H,25,31)(H,27,30)/b18-10-/t16-/m0/s1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PCBioAssay
| n/a | n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences
Curated by PubChem BioAssay
| Assay Description
Kinase inhibitors are a new class of therapeutics with a propensity to inhibit multiple targets. The biological consequences of multi-kinase activity... |
PubChem Bioassay (2008)
BindingDB Entry DOI: 10.7270/Q2Z60MFN |
More data for this
Ligand-Target Pair | |
Search and Browse
