Found 35 hits of kd for UniProtKB: P35790 Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kcal/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145944
(CHEMBL3763540)Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)cc2C#N)CC1 Show InChI InChI=1S/C27H37N5/c1-29-11-3-13-31(17-15-29)21-23-5-8-25(9-6-23)27-10-7-24(19-26(27)20-28)22-32-14-4-12-30(2)16-18-32/h5-10,19H,3-4,11-18,21-22H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145945
(CHEMBL3764278)Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)c(F)c2F)CC1 Show InChI InChI=1S/C26H36F2N4/c1-29-11-3-13-31(17-15-29)19-21-5-7-22(8-6-21)24-10-9-23(25(27)26(24)28)20-32-14-4-12-30(2)16-18-32/h5-10H,3-4,11-20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 21 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145947
(CHEMBL3763792)Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)c(Cl)c2)CC1 Show InChI InChI=1S/C26H37ClN4/c1-28-11-3-13-30(17-15-28)20-22-5-7-23(8-6-22)24-9-10-25(26(27)19-24)21-31-14-4-12-29(2)16-18-31/h5-10,19H,3-4,11-18,20-21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145946
(CHEMBL3763931)Show SMILES CN1CCCN(Cc2ccc(c(F)c2)-c2ccc(CN3CCCN(C)CC3)cc2C#N)CC1 Show InChI InChI=1S/C27H36FN5/c1-30-9-3-11-32(15-13-30)20-22-5-7-25(24(17-22)19-29)26-8-6-23(18-27(26)28)21-33-12-4-10-31(2)14-16-33/h5-8,17-18H,3-4,9-16,20-21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50447102
(CHEMBL3112879)Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCCCc3ccc(Cn4ccc(cc4)=[N+](C)c4ccc(Cl)cc4)cc3)cc2)cc1 |(32.88,-47.23,;34.42,-47.29,;35.21,-45.97,;35.19,-48.62,;36.73,-48.62,;37.5,-49.95,;36.72,-51.28,;37.49,-52.62,;39.03,-52.62,;39.8,-53.96,;41.34,-53.96,;42.11,-52.62,;43.65,-52.62,;44.42,-53.95,;45.96,-53.95,;46.73,-55.28,;48.27,-55.29,;49.03,-56.63,;50.57,-56.63,;51.34,-55.3,;52.88,-55.3,;53.65,-56.64,;52.87,-57.96,;53.64,-59.3,;55.18,-59.3,;55.95,-57.96,;55.18,-56.63,;55.95,-60.63,;55.16,-61.95,;57.5,-60.69,;58.21,-62.06,;59.75,-62.12,;60.58,-60.82,;62.12,-60.87,;59.85,-59.44,;58.31,-59.39,;50.57,-53.96,;49.03,-53.96,;41.33,-51.28,;39.79,-51.29,;35.19,-51.29,;34.42,-49.96,)| Show InChI InChI=1S/C37H41ClN4/c1-39(2)35-20-24-41(25-21-35)28-32-12-8-30(9-13-32)6-4-5-7-31-10-14-33(15-11-31)29-42-26-22-37(23-27-42)40(3)36-18-16-34(38)17-19-36/h8-27H,4-7,28-29H2,1-3H3/q+2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a |
Universidad de Granada
Curated by ChEMBL
| Assay Description
Binding affinity to human CK-alpha1 by tryptophan fluorescence spectroscopic analysis |
J Med Chem 57: 507-15 (2014)
Article DOI: 10.1021/jm401665x
BindingDB Entry DOI: 10.7270/Q2M90B47 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556492
(CHEMBL4747352)Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)c2cc(Cl)ccc12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 185 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145942
(CHEMBL3765239)Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(cc2)C(=O)N2CCCN(C)CC2)CC1 Show InChI InChI=1S/C26H36N4O/c1-27-13-3-15-29(19-17-27)21-22-5-7-23(8-6-22)24-9-11-25(12-10-24)26(31)30-16-4-14-28(2)18-20-30/h5-12H,3-4,13-21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 195 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145989
(CHEMBL3763982)Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)cc2F)CC1 Show InChI InChI=1S/C26H37FN4/c1-28-11-3-13-30(17-15-28)20-22-5-8-24(9-6-22)25-10-7-23(19-26(25)27)21-31-14-4-12-29(2)16-18-31/h5-10,19H,3-4,11-18,20-21H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 211 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50146003
(CHEMBL3763453)Show SMILES CN1CCCN(Cc2ccc(cc2)-c2cc(F)c(CN3CCCN(C)CC3)c(F)c2)CC1 Show InChI InChI=1S/C26H36F2N4/c1-29-9-3-11-31(15-13-29)19-21-5-7-22(8-6-21)23-17-25(27)24(26(28)18-23)20-32-12-4-10-30(2)14-16-32/h5-8,17-18H,3-4,9-16,19-20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 259 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556491
(CHEMBL4784458)Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccc(cc3)-c3ccccc3)c2c1)N1CCCCCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145943
(CHEMBL3763801)Show SMILES CN1CCCN(Cc2ccc(cc2)-c2ccc(CN3CCCN(C)CC3)cc2)CC1 Show InChI InChI=1S/C26H38N4/c1-27-13-3-15-29(19-17-27)21-23-5-9-25(10-6-23)26-11-7-24(8-12-26)22-30-16-4-14-28(2)18-20-30/h5-12H,3-4,13-22H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 382 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556487
(CHEMBL4763249)Show SMILES [Br-].Clc1ccc2c(cc[n+](Cc3ccccc3)c2c1)N1CCCCCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50447103
(CHEMBL3112870)Show SMILES C[N+](C)=c1ccn(Cc2ccc(CCc3ccc(Cn4ccc(cc4)=[N+]4CCCC4)cc3)cc2)cc1 |(47.93,.23,;47.16,-1.11,;45.62,-1.11,;47.93,-2.44,;49.47,-2.44,;50.24,-3.78,;49.46,-5.11,;50.23,-6.44,;51.77,-6.44,;52.54,-7.78,;54.07,-7.78,;54.85,-6.44,;56.39,-6.44,;57.16,-7.78,;58.69,-7.77,;59.45,-9.11,;60.99,-9.12,;61.77,-7.78,;63.31,-7.79,;64.07,-9.12,;63.3,-10.45,;64.06,-11.78,;65.61,-11.79,;66.38,-10.44,;65.61,-9.12,;66.37,-13.12,;65.85,-14.56,;67.06,-15.52,;68.34,-14.66,;67.92,-13.18,;60.99,-6.44,;59.45,-6.45,;54.07,-5.11,;52.53,-5.11,;47.93,-5.11,;47.16,-3.78,)| Show InChI InChI=1S/C32H38N4/c1-33(2)31-15-21-34(22-16-31)25-29-11-7-27(8-12-29)5-6-28-9-13-30(14-10-28)26-35-23-17-32(18-24-35)36-19-3-4-20-36/h7-18,21-24H,3-6,19-20,25-26H2,1-2H3/q+2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a |
Universidad de Granada
Curated by ChEMBL
| Assay Description
Binding affinity to human CK-alpha1 by tryptophan fluorescence spectroscopic analysis |
J Med Chem 57: 507-15 (2014)
Article DOI: 10.1021/jm401665x
BindingDB Entry DOI: 10.7270/Q2M90B47 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50447101
(CHEMBL3112877)Show SMILES C[N+](C)=c1ccn(Cc2ccc(cc2)-c2ccc(Cn3ccc(cc3)=[N+](C)c3ccc(Cl)cc3)cc2)cc1 |(47.44,-34.69,;48.98,-34.75,;49.78,-33.44,;49.75,-36.09,;51.29,-36.09,;52.06,-37.42,;51.28,-38.75,;52.05,-40.09,;53.59,-40.09,;54.36,-41.42,;55.9,-41.43,;56.67,-40.09,;55.89,-38.75,;54.35,-38.76,;58.21,-40.09,;58.97,-41.43,;60.51,-41.42,;61.28,-40.09,;62.82,-40.09,;63.59,-41.42,;62.82,-42.75,;63.59,-44.08,;65.13,-44.08,;65.9,-42.73,;65.13,-41.41,;65.91,-45.41,;65.14,-46.75,;67.45,-45.41,;68.21,-46.74,;69.75,-46.74,;70.52,-45.4,;72.06,-45.39,;69.74,-44.07,;68.2,-44.08,;60.5,-38.75,;58.96,-38.76,;49.75,-38.76,;48.98,-37.43,)| Show InChI InChI=1S/C33H33ClN4/c1-35(2)31-16-20-37(21-17-31)24-26-4-8-28(9-5-26)29-10-6-27(7-11-29)25-38-22-18-33(19-23-38)36(3)32-14-12-30(34)13-15-32/h4-23H,24-25H2,1-3H3/q+2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 620 | n/a | n/a | n/a | n/a | n/a |
Universidad de Granada
Curated by ChEMBL
| Assay Description
Binding affinity to human CK-alpha1 by tryptophan fluorescence spectroscopic analysis |
J Med Chem 57: 507-15 (2014)
Article DOI: 10.1021/jm401665x
BindingDB Entry DOI: 10.7270/Q2M90B47 |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556490
(CHEMBL4748826)Show SMILES [Br-].C(c1ccc(cc1)-c1ccccc1)[n+]1ccc(cc1)N1CCCC1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 670 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145931
(CHEMBL3764898)Show SMILES CN1CCN(CC1)c1ccc(cc1)-c1ccc(CN2CCCN(C)CC2)cc1 Show InChI InChI=1S/C24H34N4/c1-25-12-3-13-27(17-14-25)20-21-4-6-22(7-5-21)23-8-10-24(11-9-23)28-18-15-26(2)16-19-28/h4-11H,3,12-20H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 769 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556488
(CHEMBL4756022)Show SMILES [Br-].CN(c1ccccc1)c1cc[n+](Cc2ccccc2)c2cc(Cl)ccc12 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 890 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556489
(CHEMBL4755703)Show SMILES [Br-].CN(C)c1cc[n+](Cc2ccc(cc2)-c2ccccc2)cc1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.70E+3 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145934
(CHEMBL3764904)Show InChI InChI=1S/C21H26N2O2/c1-22-12-3-13-23(15-14-22)16-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21(24)25-2/h4-11H,3,12-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145930
(CHEMBL3763340)Show InChI InChI=1S/C19H24N2/c1-20-12-5-13-21(15-14-20)16-17-8-10-19(11-9-17)18-6-3-2-4-7-18/h2-4,6-11H,5,12-16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145939
(CHEMBL3764767)Show InChI InChI=1S/C20H26N2O/c1-21-12-3-13-22(15-14-21)16-17-4-6-18(7-5-17)19-8-10-20(23-2)11-9-19/h4-11H,3,12-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145928
(CHEMBL3765077)Show InChI InChI=1S/C16H21N3/c1-18-8-3-9-19(11-10-18)13-14-5-6-16-15(12-14)4-2-7-17-16/h2,4-7,12H,3,8-11,13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
PDB
UniChem
Patents
Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145940
(CHEMBL3765567)Show InChI InChI=1S/C20H23F3N2/c1-24-11-2-12-25(14-13-24)15-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20(21,22)23/h3-10H,2,11-15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.00E+3 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145929
(CHEMBL3765650)Show InChI InChI=1S/C17H22N2/c1-18-9-4-10-19(12-11-18)14-15-7-8-16-5-2-3-6-17(16)13-15/h2-3,5-8,13H,4,9-12,14H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 4.30E+3 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145927
(CHEMBL3764395)Show InChI InChI=1S/C16H21N3/c1-19-8-7-17-11-14(12-19)9-13-4-5-16-15(10-13)3-2-6-18-16/h2-6,10,14,17H,7-9,11-12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 7.00E+3 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556486
(CHEMBL1508421) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 1.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50342854
(1-Benzyl-4-(pyrrolidin-1-yl)pyridinium Bromide | C...)Show SMILES C(c1ccccc1)n1ccc(cc1)=[N+]1CCCC1 |(1.13,-28.27,;2.46,-27.5,;3.79,-28.27,;5.12,-27.5,;5.12,-25.96,;3.78,-25.19,;2.45,-25.97,;-.2,-27.51,;-1.54,-28.28,;-2.87,-27.51,;-2.87,-25.96,;-1.54,-25.19,;-.21,-25.96,;-4.21,-25.19,;-4.37,-23.65,;-5.88,-23.33,;-6.65,-24.67,;-5.61,-25.81,)| Show InChI InChI=1S/C16H19N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-3,6-9,12-13H,4-5,10-11,14H2/q+1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | 2.40E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556493
(CHEMBL3561645) | PDB
MMDB
Reactome pathway
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 | 3.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556495
(CHEMBL4796843) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.50E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556494
(CHEMBL4754833) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
MCE
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 4.90E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50556496
(CHEMBL4776753) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | n/a | 8.20E+4 | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Binding affinity to human CKalpha1 assessed as dissociation constant by spectroflurometry |
Citation and Details
Article DOI: 10.1016/j.ejmech.2020.112797
BindingDB Entry DOI: 10.7270/Q25X2DKT |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145918
(CHEMBL3763993)Show InChI InChI=1S/C14H23N3/c1-16-7-2-8-17(10-9-16)12-14-5-3-13(11-15)4-6-14/h3-6H,2,7-12,15H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
PDB
UniChem
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Similars
| PDB
Article
PubMed
| n/a | n/a | n/a | 1.32E+5 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145919
(CHEMBL3765610)Show InChI InChI=1S/C13H20N2O/c1-14-7-2-8-15(10-9-14)13-5-3-12(11-16)4-6-13/h3-6,16H,2,7-11H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 1.94E+5 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145921
(CHEMBL3763196)Show InChI InChI=1S/C11H21N3O/c15-11(14-9-5-12-6-10-14)13-7-3-1-2-4-8-13/h12H,1-10H2 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | n/a | 3.40E+5 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
Choline kinase alpha
(Homo sapiens (Human)) | BDBM50145925
(CHEMBL3764475)Show InChI InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11) | PDB
MMDB
Reactome pathway
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 | 6.30E+5 | n/a | n/a | n/a | n/a | n/a |
ARIAD Pharmaceuticals, Inc.
Curated by ChEMBL
| Assay Description
Binding affinity to human N-terminal truncated ChoKalpha1 (75 to 457 residues) by surface plasmon resonance assay |
J Med Chem 59: 671-86 (2016)
Article DOI: 10.1021/acs.jmedchem.5b01552
BindingDB Entry DOI: 10.7270/Q23X88HX |
More data for this
Ligand-Target Pair | |
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