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Compile Data Set for Download or QSAR

Found 11 hits with Last Name = 'zakelj' and Initial = 's'   
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
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001061
PNG
(CHEMBL3236020)
Show SMILES Oc1ccc(cc1F)-n1cc(cc1C(=O)C(F)F)C(=O)c1ccccc1
Show InChI InChI=1S/C19H12F3NO3/c20-14-9-13(6-7-16(14)24)23-10-12(8-15(23)18(26)19(21)22)17(25)11-4-2-1-3-5-11/h1-10,19,24H
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n/an/a 1.21E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001060
PNG
(CHEMBL3236019)
Show SMILES Oc1ccc(cc1F)-n1cc(cc1C(=O)C(F)(F)F)C(=O)c1ccccc1
Show InChI InChI=1S/C19H11F4NO3/c20-14-9-13(6-7-16(14)25)24-10-12(8-15(24)18(27)19(21,22)23)17(26)11-4-2-1-3-5-11/h1-10,25H
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n/an/a 2.04E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001056
PNG
(CHEMBL3236007)
Show SMILES COc1ccc(cc1)C(=O)c1ccn(c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C18H14FNO3/c1-23-15-5-2-12(3-6-15)18(22)13-8-9-20(11-13)14-4-7-17(21)16(19)10-14/h2-11,21H,1H3
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n/an/a 2.62E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001057
PNG
(CHEMBL3236008)
Show SMILES COc1cccc(c1)C(=O)c1ccn(c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C18H14FNO3/c1-23-15-4-2-3-12(9-15)18(22)13-7-8-20(11-13)14-5-6-17(21)16(19)10-14/h2-11,21H,1H3
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n/an/a 2.87E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001059
PNG
(CHEMBL3236010)
Show SMILES Oc1ccc(cc1F)-n1ccc(c1)C(=O)c1ccc(Br)cc1F
Show InChI InChI=1S/C17H10BrF2NO2/c18-11-1-3-13(14(19)7-11)17(23)10-5-6-21(9-10)12-2-4-16(22)15(20)8-12/h1-9,22H
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n/an/a 3.55E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001047
PNG
(CHEMBL3236006)
Show SMILES Oc1ccc(cc1F)-n1ccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H12FNO2/c18-15-10-14(6-7-16(15)20)19-9-8-13(11-19)17(21)12-4-2-1-3-5-12/h1-11,20H
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n/an/a 3.82E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50003616
PNG
(2-n-propyl-n-valeric acid | CHEMBL109 | DPA | Di-n...)
Show SMILES CCCC(CCC)C(O)=O
Show InChI InChI=1S/C8H16O2/c1-3-5-7(6-4-2)8(9)10/h7H,3-6H2,1-2H3,(H,9,10)
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n/an/a 5.61E+4n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001018
PNG
(CHEMBL3236005)
Show SMILES Oc1ccc(cc1)-n1ccc(c1)C(=O)c1ccccc1
Show InChI InChI=1S/C17H13NO2/c19-16-8-6-15(7-9-16)18-11-10-14(12-18)17(20)13-4-2-1-3-5-13/h1-12,19H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001062
PNG
(CHEMBL3236021)
Show SMILES Oc1ccc(cc1F)-n1ccc(c1)C(=O)C(F)(F)F
Show InChI InChI=1S/C12H7F4NO2/c13-9-5-8(1-2-10(9)18)17-4-3-7(6-17)11(19)12(14,15)16/h1-6,18H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001063
PNG
(CHEMBL3236022)
Show SMILES Oc1ccc(cc1F)-n1ccc(c1)C(=O)C(F)F
Show InChI InChI=1S/C12H8F3NO2/c13-9-5-8(1-2-10(9)17)16-4-3-7(6-16)11(18)12(14)15/h1-6,12,17H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member B1


(Rattus norvegicus)
BDBM50001058
PNG
(CHEMBL3236009)
Show SMILES Oc1ccc(cc1F)-n1ccc(c1)C(=O)c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C18H11F4NO3/c19-15-9-13(3-6-16(15)24)23-8-7-12(10-23)17(25)11-1-4-14(5-2-11)26-18(20,21)22/h1-10,24H
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n/an/a>1.00E+5n/an/an/an/an/an/a



Aristotle University of Thessaloniki

Curated by ChEMBL


Assay Description
Inhibition of Fischer-344 rat kidney ALR1 using D-glucuronate as substrate by spectrophotometry


Bioorg Med Chem 22: 2194-207 (2014)


Article DOI: 10.1016/j.bmc.2014.02.016
BindingDB Entry DOI: 10.7270/Q2CJ8G0C
More data for this
Ligand-Target Pair