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Compile Data Set for Download or QSAR

Found 11 hits of affinity data for UniProtKB/TrEMBL: Q9C5U0   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50274503
PNG
(2-chloro-N-(3-fluorophenyl)-9H-purin-6-amine | CHE...)
Show SMILES Fc1cccc(Nc2nc(Cl)nc3nc[nH]c23)c1
Show InChI InChI=1S/C11H7ClFN5/c12-11-17-9-8(14-5-15-9)10(18-11)16-7-3-1-2-6(13)4-7/h1-5H,(H2,14,15,16,17,18)
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n/an/an/an/a 2.48E+4n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50274505
PNG
(2-(2-chloro-9H-purin-6-ylamino)phenol | CHEMBL4855...)
Show SMILES Oc1ccccc1Nc1nc(Cl)nc2nc[nH]c12
Show InChI InChI=1S/C11H8ClN5O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-3-1-2-4-7(6)18/h1-5,18H,(H2,13,14,15,16,17)
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n/an/an/an/a>5.00E+4n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50274506
PNG
(3-(2-chloro-9H-purin-6-ylamino)phenol | CHEMBL4843...)
Show SMILES Oc1cccc(Nc2nc(Cl)nc3nc[nH]c23)c1
Show InChI InChI=1S/C11H8ClN5O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-2-1-3-7(18)4-6/h1-5,18H,(H2,13,14,15,16,17)
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n/an/an/an/a 3.75E+3n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50274507
PNG
(4-(2-chloro-9H-purin-6-ylamino)phenol | CHEMBL4843...)
Show SMILES Oc1ccc(Nc2nc(Cl)nc3nc[nH]c23)cc1
Show InChI InChI=1S/C11H8ClN5O/c12-11-16-9-8(13-5-14-9)10(17-11)15-6-1-3-7(18)4-2-6/h1-5,18H,(H2,13,14,15,16,17)
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n/an/an/an/a 4.60E+3n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50274549
PNG
(2-Chloro-6-(3-methoxyanilino)purine | CHEMBL484383)
Show SMILES COc1cccc(Nc2nc(Cl)nc3nc[nH]c23)c1
Show InChI InChI=1S/C12H10ClN5O/c1-19-8-4-2-3-7(5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H2,14,15,16,17,18)
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PubMed
n/an/an/an/a 7.00E+3n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50274502
PNG
(2-Chloro-6-(4-chloroanilino)purine | CHEMBL448763)
Show SMILES Clc1ccc(Nc2nc(Cl)nc3nc[nH]c23)cc1
Show InChI InChI=1S/C11H7Cl2N5/c12-6-1-3-7(4-2-6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H2,14,15,16,17,18)
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n/an/an/an/a>5.00E+4n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50274552
PNG
(2-Fluoro-6-(3-methoxyanilino)purine | CHEMBL483378)
Show SMILES COc1cccc(Nc2nc(F)nc3nc[nH]c23)c1
Show InChI InChI=1S/C12H10FN5O/c1-19-8-4-2-3-7(5-8)16-11-9-10(15-6-14-9)17-12(13)18-11/h2-6H,1H3,(H2,14,15,16,17,18)
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PubMed
n/an/an/an/a 1.90E+4n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50267036
PNG
((2E)-2-methyl-4-(9H-purin-6-ylamino)but-2-en-1-ol ...)
Show SMILES CC(CO)=CCNc1ncnc2nc[nH]c12 |w:4.4|
Show InChI InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)
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n/an/an/an/a 1.10E+3n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50274591
PNG
(CHEMBL505661 | Thidiazuron)
Show SMILES O=C(Nc1cnns1)Nc1ccccc1
Show InChI InChI=1S/C9H8N4OS/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7/h1-6H,(H2,11,12,14)
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PubMed
n/an/an/an/a 1.00E+3n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Histidine kinase 4


(Arabidopsis thaliana)
BDBM50274501
PNG
(2-chloro-N-(3-chlorophenyl)-9H-purin-6-amine | CHE...)
Show SMILES Clc1cccc(Nc2nc(Cl)nc3nc[nH]c23)c1
Show InChI InChI=1S/C11H7Cl2N5/c12-6-2-1-3-7(4-6)16-10-8-9(15-5-14-8)17-11(13)18-10/h1-5H,(H2,14,15,16,17,18)
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PubMed
n/an/an/an/a 7.50E+3n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair
Histidine kinase 4


(Arabidopsis thaliana)
BDBM59843
PNG
((3-methoxyphenyl)-(7H-purin-6-yl)amine | CHEMBL484...)
Show SMILES COc1cccc(Nc2ncnc3nc[nH]c23)c1
Show InChI InChI=1S/C12H11N5O/c1-18-9-4-2-3-8(5-9)17-12-10-11(14-6-13-10)15-7-16-12/h2-7H,1H3,(H2,13,14,15,16,17)
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n/an/an/an/a 3.10E+4n/an/an/an/a



IEB AS CR & Palacký University Olomouc

Curated by ChEMBL


Assay Description
Activation of Arabidopsis thaliana AHK4/CRE1 receptor expressed in Escherichia coli KMI001 by beta-galactosidase activity


Bioorg Med Chem 16: 9268-75 (2008)


Article DOI: 10.1016/j.bmc.2008.09.008
BindingDB Entry DOI: 10.7270/Q2416WWW
More data for this
Ligand-Target Pair