Found 350 hits with Last Name = 'apuy' and Initial = 'j' 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)) | BDBM532292
(JGS79C | N-(2,6-diethylphenyl)-2-[2-methoxy-4-(4-m...)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn-2c1CCc1cnc(Nc3ccc(cc3OC)N3CCN(C)CC3)nc-21 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
MCE
PC cid
PC sid
PDB
UniChem
| PDB
Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of full length TTK (unknown origin) using MBP-derived peptide as substrate preincubated for 1 hr in dark followed by substrate addition an... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582067
(CHEMBL5093015)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578360
(CHEMBL4849353)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCC[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,(62.95,-4.56,;64.29,-3.79,;65.62,-4.57,;65.61,-6.11,;66.95,-6.89,;68.27,-6.12,;68.28,-4.58,;66.96,-3.81,;69.61,-6.89,;70.94,-6.12,;70.94,-4.57,;72.27,-3.8,;73.61,-4.57,;74.94,-3.79,;76.27,-4.55,;74.93,-2.25,;73.62,-6.11,;74.95,-6.87,;74.96,-8.41,;73.53,-9.12,;73.24,-10.59,;74.17,-11.79,;75.64,-11.83,;76.67,-10.59,;78.16,-10.97,;76.35,-9.09,;72.27,-6.89,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582063
(CHEMBL5092826)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCN(CC(=O)N(C)C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578357
(CHEMBL4856984)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@](C)(O)C2)n1 |r,wU:5.8,18.18,wD:22.23,2.1,(1.13,-3.13,;2.47,-2.37,;3.8,-3.14,;3.79,-4.69,;5.12,-5.47,;6.45,-4.69,;6.46,-3.15,;5.13,-2.38,;7.78,-5.46,;9.12,-4.69,;9.12,-3.15,;10.45,-2.38,;11.79,-3.14,;13.11,-2.37,;14.45,-3.13,;13.11,-.83,;11.79,-4.69,;13.13,-5.45,;13.14,-6.99,;11.81,-7.76,;11.81,-9.29,;13.15,-10.06,;14.47,-9.29,;15.24,-10.62,;16.01,-9.29,;14.48,-7.75,;10.45,-5.47,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50394785
(CHEMBL2163404)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCC(F)(F)C4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H29F2N9O2S/c1-17-13-22(34-33-17)31-24-21-3-2-10-38(21)35-26(32-24)41-20-6-4-19(5-7-20)30-23(39)15-36-11-8-18(14-36)25(40)37-12-9-27(28,29)16-37/h2-7,10,13,18H,8-9,11-12,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t18-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay |
J Med Chem 55: 3250-60 (2012)
Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578347
(CHEMBL4853125)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578358
(CHEMBL4878370)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CC[C@@H](C)[C@H](O)C2)n1 |r,wU:5.8,18.18,23.24,wD:2.1,21.22,(19.9,-4.09,;21.24,-3.32,;22.57,-4.1,;22.57,-5.64,;23.9,-6.42,;25.23,-5.65,;25.24,-4.11,;23.91,-3.34,;26.56,-6.42,;27.89,-5.65,;27.9,-4.11,;29.22,-3.34,;30.56,-4.1,;31.89,-3.32,;33.23,-4.09,;31.88,-1.78,;30.57,-5.64,;31.91,-6.41,;31.91,-7.95,;30.58,-8.72,;30.59,-10.25,;31.92,-11.02,;31.92,-12.56,;33.25,-10.24,;34.58,-11.01,;33.25,-8.7,;29.23,-6.42,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582069
(CHEMBL5073101)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Aurora kinase A
(Homo sapiens (Human)) | BDBM50394779
(CHEMBL2163394)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H33N9O2S/c1-18-15-24(34-33-18)31-26-23-7-4-13-37(23)35-28(32-26)40-22-10-8-21(9-11-22)29-25(38)17-36-14-12-19(16-36)27(39)30-20-5-2-3-6-20/h4,7-11,13,15,19-20H,2-3,5-6,12,14,16-17H2,1H3,(H,29,38)(H,30,39)(H2,31,32,33,34,35)/t19-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase A autophosphorylation in human HEK293 cells after 2 hrs by phosphor antibody readout assay |
J Med Chem 55: 3250-60 (2012)
Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578367
(CHEMBL4864618)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OCC(F)(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,23.24,27.29,wD:11.14,(79.91,-33.17,;78.57,-32.41,;78.56,-30.87,;77.24,-33.18,;75.9,-32.42,;74.57,-33.19,;74.57,-34.73,;73.24,-35.5,;71.9,-34.73,;70.58,-35.51,;69.24,-34.73,;69.25,-33.18,;70.59,-32.42,;71.91,-33.19,;67.92,-32.41,;66.58,-33.17,;65.25,-32.4,;65.26,-30.86,;63.91,-33.16,;63.91,-31.62,;75.91,-35.5,;77.25,-34.73,;78.58,-35.49,;78.59,-37.03,;77.26,-37.8,;77.27,-39.33,;78.6,-40.1,;79.93,-39.33,;81.26,-40.09,;79.93,-37.79,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582065
(CHEMBL5075313)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582061
(CHEMBL5081270)Show SMILES CCc1cccc(CC)c1NC(=O)c1ccn(c1)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582068
(CHEMBL5077668)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CN4CCN(C)CC4)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582074
(CHEMBL5081668)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CN3CCN(C)CC3)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578366
(CHEMBL4845965)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@@H](CC2)OC(F)F)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,21.22,25.27,wD:11.14,(57.85,-32.36,;56.51,-31.59,;56.51,-30.05,;55.18,-32.37,;53.85,-31.61,;52.52,-32.38,;52.52,-33.92,;51.18,-34.69,;49.85,-33.92,;48.52,-34.69,;47.19,-33.91,;47.19,-32.37,;48.53,-31.61,;49.86,-32.38,;45.86,-31.6,;44.53,-32.36,;43.2,-31.58,;44.52,-33.9,;53.85,-34.69,;55.19,-33.91,;56.53,-34.68,;56.54,-36.22,;55.21,-36.99,;55.21,-38.52,;56.54,-39.29,;57.87,-38.51,;59.21,-39.28,;57.88,-36.97,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578346
(CHEMBL4847078)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578365
(CHEMBL4853525)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1N[C@@H]1CCC[C@H](O)C1 |r,wU:8.7,18.19,22.24,wD:11.11,(15.33,-30.3,;13.99,-29.54,;13.99,-28,;12.66,-30.32,;11.33,-29.55,;10,-30.32,;10,-31.87,;8.66,-32.64,;7.33,-31.87,;6,-32.64,;4.67,-31.86,;4.67,-30.32,;3.34,-29.54,;6.01,-29.56,;7.34,-30.33,;11.33,-32.64,;12.67,-31.86,;14.01,-32.62,;14.02,-34.16,;12.69,-34.93,;12.69,-36.47,;14.02,-37.24,;15.35,-36.46,;16.69,-37.23,;15.36,-34.92,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578346
(CHEMBL4847078)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582077
(CHEMBL5085753)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CC3(CN(C)C3)C2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50093070
(CHEMBL3586561)Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wD:5.5,2.1,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50394779
(CHEMBL2163394)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C28H33N9O2S/c1-18-15-24(34-33-18)31-26-23-7-4-13-37(23)35-28(32-26)40-22-10-8-21(9-11-22)29-25(38)17-36-14-12-19(16-36)27(39)30-20-5-2-3-6-20/h4,7-11,13,15,19-20H,2-3,5-6,12,14,16-17H2,1H3,(H,29,38)(H,30,39)(H2,31,32,33,34,35)/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA |
J Med Chem 55: 3250-60 (2012)
Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582066
(CHEMBL5084062)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(O)(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582064
(CHEMBL5091689)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCN(CC(=O)N(C)C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093070
(CHEMBL3586561)Show SMILES CO[C@@H]1CC[C@H](CN2C(=O)CNc3ncc(nc23)-c2ccc(nc2C)-c2nc[nH]n2)CC1 |r,wD:5.5,2.1,(6.68,7.38,;6.68,6.15,;5.34,5.38,;5.34,3.84,;4,3.07,;2.67,3.85,;1.33,3.08,;1.33,1.54,;2.66,.77,;3.73,1.38,;2.66,-.77,;1.33,-1.54,;,-.77,;-1.33,-1.54,;-2.68,-.77,;-2.68,.77,;-1.33,1.54,;,.77,;-4.01,1.54,;-5.35,.77,;-6.68,1.54,;-6.68,3.08,;-5.35,3.85,;-4.01,3.08,;-2.95,3.7,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,;2.68,5.39,;4.01,6.15,)| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092785
(CHEMBL3586383)Show SMILES Cc1cc(ccc1-c1cnc2NC(=O)CN(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-24-13-25-28-20)2-3-17(14)18-11-23-21-22(26-18)29(12-19(30)27-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,27,30)(H,24,25,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092784
(CHEMBL3586382)Show SMILES O=C1CNc2ncc(nc2N1CCC1CCOCC1)-c1ccc(cc1)-c1nc[nH]n1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-23-20-21(28(18)8-5-14-6-9-30-10-7-14)26-17(11-22-20)15-1-3-16(4-2-15)19-24-13-25-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,23)(H,24,25,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582071
(CHEMBL5086022)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582070
(CHEMBL5085278)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)C(=O)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50578343
(CHEMBL4878046)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 |r,wU:8.7,wD:11.11,(53.88,-7.89,;52.54,-7.13,;52.54,-5.59,;51.21,-7.9,;49.88,-7.14,;48.55,-7.91,;48.55,-9.45,;47.21,-10.22,;45.88,-9.45,;44.55,-10.23,;43.22,-9.45,;43.22,-7.9,;41.89,-7.13,;44.56,-7.14,;45.89,-7.91,;49.88,-10.23,;51.22,-9.45,;52.56,-10.21,;52.57,-11.75,;51.24,-12.52,;51.24,-14.06,;52.58,-14.82,;53.91,-14.04,;53.9,-12.5,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50578361
(CHEMBL4877560)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCCOC2)n1 |r,wU:5.8,18.18,wD:2.1,(2.62,-17.13,;3.96,-16.37,;5.29,-17.15,;5.28,-18.69,;6.62,-19.47,;7.95,-18.69,;7.95,-17.15,;6.63,-16.38,;9.28,-19.46,;10.61,-18.7,;10.61,-17.15,;11.94,-16.38,;13.28,-17.14,;14.61,-16.37,;15.95,-17.13,;14.6,-14.83,;13.29,-18.69,;14.63,-19.45,;14.63,-20.99,;13.3,-21.76,;13.31,-23.29,;14.64,-24.07,;15.97,-23.29,;15.97,-21.75,;11.95,-19.47,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50578346
(CHEMBL4847078)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@H](O)C2)n1 |r,wU:5.8,18.18,22.23,wD:2.1,(21,-22.65,;22.34,-21.88,;23.67,-22.66,;23.66,-24.2,;25,-24.98,;26.32,-24.21,;26.33,-22.67,;25.01,-21.9,;27.66,-24.98,;28.99,-24.21,;28.99,-22.66,;30.32,-21.89,;31.66,-22.66,;32.99,-21.88,;34.32,-22.64,;32.98,-20.34,;31.67,-24.2,;33,-24.96,;33.01,-26.5,;31.68,-27.27,;31.68,-28.81,;33.02,-29.58,;34.35,-28.8,;35.68,-29.57,;34.35,-27.26,;30.32,-24.98,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578364
(CHEMBL4875131)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(NC23CC(C2)C3)n1 |r,wU:5.8,wD:2.1,(64.75,-19.37,;66.09,-18.6,;67.42,-19.38,;67.42,-20.92,;68.75,-21.7,;70.08,-20.93,;70.09,-19.39,;68.76,-18.62,;71.41,-21.7,;72.75,-20.93,;72.75,-19.38,;74.08,-18.61,;75.41,-19.38,;76.74,-18.6,;78.08,-19.36,;76.73,-17.06,;75.42,-20.92,;76.76,-21.68,;76.76,-23.22,;75.68,-24.31,;76.78,-25.4,;77.86,-24.3,;76.29,-24.27,;74.08,-21.7,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50092786
(CHEMBL3586384)Show SMILES Cc1cc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C22H25N7O2/c1-14-10-16(20-25-13-26-28-20)2-3-17(14)18-11-23-21-22(27-18)29(19(30)12-24-21)7-4-15-5-8-31-9-6-15/h2-3,10-11,13,15H,4-9,12H2,1H3,(H,23,24)(H,25,26,28) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50364378
(CHEMBL1950289)Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ncc2nc(Nc3c(F)cc(F)cc3F)n([C@H]3CCOC3)c2n1 |r,wU:1.0,wD:4.7,25.26,(-6.26,-6.49,;-5.49,-5.16,;-6.25,-3.82,;-5.49,-2.5,;-3.95,-2.49,;-3.17,-3.82,;-3.94,-5.16,;-3.19,-1.16,;-1.65,-1.15,;-.89,.17,;.66,.18,;1.42,-1.15,;2.92,-1.46,;3.09,-2.98,;4.42,-3.75,;5.75,-2.97,;5.74,-1.45,;4.4,-.69,;7.06,-.67,;8.41,-1.43,;9.74,-.66,;8.41,-2.97,;7.08,-3.75,;7.08,-5.29,;1.69,-3.61,;1.23,-5.08,;-.23,-5.56,;-.23,-7.1,;1.24,-7.57,;2.14,-6.32,;.66,-2.48,;-.88,-2.48,)| Show InChI InChI=1S/C21H23F3N6O2/c22-11-7-15(23)18(16(24)8-11)28-21-27-17-9-25-20(26-12-1-3-14(31)4-2-12)29-19(17)30(21)13-5-6-32-10-13/h7-9,12-14,31H,1-6,10H2,(H,27,28)(H,25,26,29)/t12-,13-,14-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582076
(CHEMBL5079606)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N(C)CCN(C)C)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582075
(CHEMBL5085182)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 8
(Homo sapiens (Human)) | BDBM50578343
(CHEMBL4878046)Show SMILES NC(=O)c1cnc(N[C@H]2CC[C@H](O)CC2)nc1Nc1ccccc1 |r,wU:8.7,wD:11.11,(53.88,-7.89,;52.54,-7.13,;52.54,-5.59,;51.21,-7.9,;49.88,-7.14,;48.55,-7.91,;48.55,-9.45,;47.21,-10.22,;45.88,-9.45,;44.55,-10.23,;43.22,-9.45,;43.22,-7.9,;41.89,-7.13,;44.56,-7.14,;45.89,-7.91,;49.88,-10.23,;51.22,-9.45,;52.56,-10.21,;52.57,-11.75,;51.24,-12.52,;51.24,-14.06,;52.58,-14.82,;53.91,-14.04,;53.9,-12.5,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK1 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Mitogen-activated protein kinase 9
(Homo sapiens (Human)) | BDBM50578347
(CHEMBL4853125)Show SMILES CO[C@H]1CC[C@@H](CC1)Nc1ncc(C(N)=O)c(N[C@@H]2CCC[C@@H](O)C2)n1 |r,wU:5.8,18.18,wD:2.1,22.23,(41.41,-23.69,;42.75,-22.93,;44.08,-23.7,;44.07,-25.24,;45.41,-26.02,;46.73,-25.25,;46.74,-23.71,;45.42,-22.94,;48.07,-26.02,;49.4,-25.25,;49.4,-23.71,;50.73,-22.94,;52.07,-23.7,;53.4,-22.92,;54.73,-23.69,;53.39,-21.38,;52.08,-25.24,;53.41,-26.01,;53.42,-27.55,;52.09,-28.32,;52.09,-29.85,;53.43,-30.62,;54.76,-29.85,;56.1,-30.62,;54.76,-28.3,;50.73,-26.02,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Inhibition of JNK2 (unknown origin) assessed as reduction in phosphorylated ULight-labeled 4EBP1 peptide measured after 1 hr by time-resolved fluores... |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c01716
BindingDB Entry DOI: 10.7270/Q22Z19CX |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582062
(CHEMBL5086435)Show SMILES CCc1cccc(CC)c1NC(=O)c1cc(-c2nc(Nc3ccc(cc3OC)N3CCC(CC3)N3CCN(C)CC3)nc3[nH]ccc23)n(C)n1 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50093075
(CHEMBL3586566)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)| | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50394785
(CHEMBL2163404)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCC(F)(F)C4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H29F2N9O2S/c1-17-13-22(34-33-17)31-24-21-3-2-10-38(21)35-26(32-24)41-20-6-4-19(5-7-20)30-23(39)15-36-11-8-18(14-36)25(40)37-12-9-27(28,29)16-37/h2-7,10,13,18H,8-9,11-12,14-16H2,1H3,(H,30,39)(H2,31,32,33,34,35)/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA |
J Med Chem 55: 3250-60 (2012)
Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50394777
(CHEMBL2163387)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NC(C)(C)C)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H33N9O2S/c1-17-14-22(33-32-17)29-24-21-6-5-12-36(21)34-26(30-24)39-20-9-7-19(8-10-20)28-23(37)16-35-13-11-18(15-35)25(38)31-27(2,3)4/h5-10,12,14,18H,11,13,15-16H2,1-4H3,(H,28,37)(H,31,38)(H2,29,30,32,33,34)/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA |
J Med Chem 55: 3250-60 (2012)
Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50394798
(CHEMBL2163408)Show SMILES COCCO[C@@H]1CCN(CC(=O)Nc2ccc(Sc3nc(Nc4cc(C)[nH]n4)c4cccn4n3)cc2)C1 |r| Show InChI InChI=1S/C25H30N8O3S/c1-17-14-22(30-29-17)27-24-21-4-3-10-33(21)31-25(28-24)37-20-7-5-18(6-8-20)26-23(34)16-32-11-9-19(15-32)36-13-12-35-2/h3-8,10,14,19H,9,11-13,15-16H2,1-2H3,(H,26,34)(H2,27,28,29,30,31)/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA |
J Med Chem 55: 3250-60 (2012)
Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50394786
(CHEMBL2163403)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)N4CCCC4)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C27H31N9O2S/c1-18-15-23(32-31-18)29-25-22-5-4-13-36(22)33-27(30-25)39-21-8-6-20(7-9-21)28-24(37)17-34-14-10-19(16-34)26(38)35-11-2-3-12-35/h4-9,13,15,19H,2-3,10-12,14,16-17H2,1H3,(H,28,37)(H2,29,30,31,32,33)/t19-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA |
J Med Chem 55: 3250-60 (2012)
Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F |
More data for this
Ligand-Target Pair | |
Aurora kinase B
(Homo sapiens (Human)) | BDBM50394776
(CHEMBL2163388)Show SMILES Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CC[C@H](C4)C(=O)NCC(F)(F)F)cc3)nn3cccc23)n[nH]1 |r| Show InChI InChI=1S/C25H26F3N9O2S/c1-15-11-20(34-33-15)31-22-19-3-2-9-37(19)35-24(32-22)40-18-6-4-17(5-7-18)30-21(38)13-36-10-8-16(12-36)23(39)29-14-25(26,27)28/h2-7,9,11,16H,8,10,12-14H2,1H3,(H,29,39)(H,30,38)(H2,31,32,33,34,35)/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Ambit Biosciences Corporation
Curated by ChEMBL
| Assay Description
Inhibition of Aurora kinase B-mediated histone H3 Ser10 phosphorylation in human HCT116 cells after 2 hrs by sandwich ELISA |
J Med Chem 55: 3250-60 (2012)
Article DOI: 10.1021/jm201702g
BindingDB Entry DOI: 10.7270/Q2W0971F |
More data for this
Ligand-Target Pair | |
Dual specificity protein kinase TTK
(Homo sapiens (Human)) | BDBM50582073
(CHEMBL5077627)Show SMILES CCc1cccc(CC)c1N1CCn2cc(cc2C1=O)-c1nc(Nc2ccc(cc2OC)N2CCC(O)(CC2)C(=O)N2CCN(C)CC2)nc2[nH]ccc12 | PDB
MMDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of kinase tracer 236 from TTK (unknown origin) by LanthaScreen Eu kinase binding assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.1c00635
BindingDB Entry DOI: 10.7270/Q25T3QC6 |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50431521
(CHEMBL2348864)Show SMILES O=C1CN(CCC2CCOCC2)c2nc(cnc2N1)-c1ccc(cc1)-c1nnc[nH]1 Show InChI InChI=1S/C21H23N7O2/c29-18-12-28(8-5-14-6-9-30-10-7-14)21-20(26-18)22-11-17(25-21)15-1-3-16(4-2-15)19-23-13-24-27-19/h1-4,11,13-14H,5-10,12H2,(H,22,26,29)(H,23,24,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5323-33 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00626
BindingDB Entry DOI: 10.7270/Q208672F |
More data for this
Ligand-Target Pair | |
FKBP12A/mTOR
(Homo sapiens (Human)) | BDBM50092782
(CHEMBL3586387)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N(CCC3CCOCC3)c2n1)-c1nc[nH]n1 Show InChI InChI=1S/C21H24N8O2/c1-13-15(2-3-16(26-13)19-24-12-25-28-19)17-10-22-20-21(27-17)29(18(30)11-23-20)7-4-14-5-8-31-9-6-14/h2-3,10,12,14H,4-9,11H2,1H3,(H,22,23)(H,24,25,28) | PDB
UniProtKB/SwissProt
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTORC1 in human PC3 cells assessed as inhibition of p70S6K phosphorylation after 1 hr |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
Serine/threonine-protein kinase mTOR
(Homo sapiens (Human)) | BDBM50093075
(CHEMBL3586566)Show SMILES Cc1nc(ccc1-c1cnc2NCC(=O)N([C@@H]3CC[C@H](O)CC3)c2n1)-c1nc[nH]n1 |r,wU:16.16,19.20,(-2.95,3.7,;-4.01,3.08,;-5.35,3.85,;-6.68,3.08,;-6.68,1.54,;-5.35,.77,;-4.01,1.54,;-2.68,.77,;-2.68,-.77,;-1.33,-1.54,;,-.77,;1.33,-1.54,;2.66,-.77,;2.66,.77,;3.73,1.38,;1.33,1.54,;1.33,3.08,;2.66,3.85,;2.66,5.39,;1.33,6.16,;1.32,7.39,;-.01,5.39,;-0,3.85,;,.77,;-1.33,1.54,;-8.02,3.85,;-8.16,5.37,;-9.66,5.69,;-10.43,4.36,;-9.4,3.21,)| | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Celgene Corporation
Curated by ChEMBL
| Assay Description
Inhibition of mTOR (unknown origin) by HTR-FRET substrate phosphorylation assay |
J Med Chem 58: 5599-608 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00627
BindingDB Entry DOI: 10.7270/Q2BG2QRV |
More data for this
Ligand-Target Pair | |
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