Found 4 hits with Last Name = 'figuerola-conchas' and Initial = 'a' 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 |
|---|
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/ethanolamine kinase
(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 | 2.20E+4 | n/a | n/a | n/a | n/a | n/a |
Universidad de Granada
Curated by ChEMBL
| Assay Description
Binding affinity to human CK-beta 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)) | 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)) | 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 | |
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