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PubMed code 22897946

Compile data set for download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390657
PNG
(CHEMBL2070002)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10ClNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 310n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390660
PNG
(CHEMBL2070005)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 350n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390659
PNG
(CHEMBL2070004)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20)
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n/an/a 840n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390660
PNG
(CHEMBL2070005)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 1.90E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390657
PNG
(CHEMBL2070002)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10ClNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390659
PNG
(CHEMBL2070004)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20)
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390658
PNG
(CHEMBL2070003)
Show SMILES COc1cc(NC(=O)c2cccc(O)c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C16H15NO6/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)17-15(19)9-4-3-5-10(18)6-9/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
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n/an/a 2.90E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50390664
PNG
(CHEMBL2070008)
Show SMILES CCCCOc1cc(ccc1[N+]([O-])=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H18N2O6/c1-2-3-10-26-16-11-12(8-9-15(16)20(24)25)17(21)19-14-7-5-4-6-13(14)18(22)23/h4-9,11H,2-3,10H2,1H3,(H,19,21)(H,22,23)
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C1 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50390663
PNG
(CHEMBL2070007)
Show SMILES CCCCOc1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C18H18BrNO4/c1-2-3-9-24-14-6-4-5-12(10-14)17(21)20-16-8-7-13(19)11-15(16)18(22)23/h4-8,10-11H,2-3,9H2,1H3,(H,20,21)(H,22,23)
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50390663
PNG
(CHEMBL2070007)
Show SMILES CCCCOc1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C18H18BrNO4/c1-2-3-9-24-14-6-4-5-12(10-14)17(21)20-16-8-7-13(19)11-15(16)18(22)23/h4-8,10-11H,2-3,9H2,1H3,(H,20,21)(H,22,23)
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n/an/a 4.90E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C1 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390656
PNG
(CHEMBL2070001)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H11NO4/c16-10-5-3-4-9(8-10)13(17)15-12-7-2-1-6-11(12)14(18)19/h1-8,16H,(H,15,17)(H,18,19)
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n/an/a 5.19E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390658
PNG
(CHEMBL2070003)
Show SMILES COc1cc(NC(=O)c2cccc(O)c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C16H15NO6/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)17-15(19)9-4-3-5-10(18)6-9/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
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n/an/a 5.20E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50390664
PNG
(CHEMBL2070008)
Show SMILES CCCCOc1cc(ccc1[N+]([O-])=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H18N2O6/c1-2-3-10-26-16-11-12(8-9-15(16)20(24)25)17(21)19-14-7-5-4-6-13(14)18(22)23/h4-9,11H,2-3,10H2,1H3,(H,19,21)(H,22,23)
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n/an/a 6.50E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390664
PNG
(CHEMBL2070008)
Show SMILES CCCCOc1cc(ccc1[N+]([O-])=O)C(=O)Nc1ccccc1C(O)=O
Show InChI InChI=1S/C18H18N2O6/c1-2-3-10-26-16-11-12(8-9-15(16)20(24)25)17(21)19-14-7-5-4-6-13(14)18(22)23/h4-9,11H,2-3,10H2,1H3,(H,19,21)(H,22,23)
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50390661
PNG
(CHEMBL2070000)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H8BrFN2O5/c15-8-2-4-11(9(6-8)14(20)21)17-13(19)7-1-3-10(16)12(5-7)18(22)23/h1-6H,(H,17,19)(H,20,21)
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C1 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50390656
PNG
(CHEMBL2070001)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H11NO4/c16-10-5-3-4-9(8-10)13(17)15-12-7-2-1-6-11(12)14(18)19/h1-8,16H,(H,15,17)(H,18,19)
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n/an/a 1.27E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C3 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50390661
PNG
(CHEMBL2070000)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1ccc(F)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H8BrFN2O5/c15-8-2-4-11(9(6-8)14(20)21)17-13(19)7-1-3-10(16)12(5-7)18(22)23/h1-6H,(H,17,19)(H,20,21)
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n/an/a 1.56E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50390662
PNG
(CHEMBL2070006)
Show SMILES CCOc1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C16H14BrNO4/c1-2-22-12-5-3-4-10(8-12)15(19)18-14-7-6-11(17)9-13(14)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
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n/an/a 1.71E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4 (AK1C4)


(Homo sapiens (Human))
BDBM50390657
PNG
(CHEMBL2070002)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10ClNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 2.01E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50390662
PNG
(CHEMBL2070006)
Show SMILES CCOc1cccc(c1)C(=O)Nc1ccc(Br)cc1C(O)=O
Show InChI InChI=1S/C16H14BrNO4/c1-2-22-12-5-3-4-10(8-12)15(19)18-14-7-6-11(17)9-13(14)16(20)21/h3-9H,2H2,1H3,(H,18,19)(H,20,21)
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n/an/a 2.06E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C1 using 1-acenaphthenol as substrate by spectrophotometry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50390658
PNG
(CHEMBL2070003)
Show SMILES COc1cc(NC(=O)c2cccc(O)c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C16H15NO6/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)17-15(19)9-4-3-5-10(18)6-9/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4 (AK1C4)


(Homo sapiens (Human))
BDBM50390660
PNG
(CHEMBL2070005)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 3.03E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4 (AK1C4)


(Homo sapiens (Human))
BDBM50390659
PNG
(CHEMBL2070004)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20)
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n/an/a 3.23E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50390659
PNG
(CHEMBL2070004)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20)
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n/an/a 3.52E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C1 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50390659
PNG
(CHEMBL2070004)
Show SMILES OC(=O)c1cc(ccc1NC(=O)c1cccc(O)c1)[N+]([O-])=O
Show InChI InChI=1S/C14H10N2O6/c17-10-3-1-2-8(6-10)13(18)15-12-5-4-9(16(21)22)7-11(12)14(19)20/h1-7,17H,(H,15,18)(H,19,20)
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n/an/a 4.16E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50390656
PNG
(CHEMBL2070001)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H11NO4/c16-10-5-3-4-9(8-10)13(17)15-12-7-2-1-6-11(12)14(18)19/h1-8,16H,(H,15,17)(H,18,19)
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n/an/a 4.81E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50390657
PNG
(CHEMBL2070002)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10ClNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 5.02E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50390657
PNG
(CHEMBL2070002)
Show SMILES OC(=O)c1cc(Cl)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10ClNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 5.08E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C1 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4 (AK1C4)


(Homo sapiens (Human))
BDBM50390658
PNG
(CHEMBL2070003)
Show SMILES COc1cc(NC(=O)c2cccc(O)c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C16H15NO6/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)17-15(19)9-4-3-5-10(18)6-9/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
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n/an/a 5.09E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C2


(Homo sapiens (human))
BDBM50390660
PNG
(CHEMBL2070005)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 6.30E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C2 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50390658
PNG
(CHEMBL2070003)
Show SMILES COc1cc(NC(=O)c2cccc(O)c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C16H15NO6/c1-22-13-7-11(16(20)21)12(8-14(13)23-2)17-15(19)9-4-3-5-10(18)6-9/h3-8,18H,1-2H3,(H,17,19)(H,20,21)
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n/an/a 8.63E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C1 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C4 (AK1C4)


(Homo sapiens (Human))
BDBM50390656
PNG
(CHEMBL2070001)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H11NO4/c16-10-5-3-4-9(8-10)13(17)15-12-7-2-1-6-11(12)14(18)19/h1-8,16H,(H,15,17)(H,18,19)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C4 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50390656
PNG
(CHEMBL2070001)
Show SMILES OC(=O)c1ccccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H11NO4/c16-10-5-3-4-9(8-10)13(17)15-12-7-2-1-6-11(12)14(18)19/h1-8,16H,(H,15,17)(H,18,19)
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n/an/a>1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C1 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50390660
PNG
(CHEMBL2070005)
Show SMILES OC(=O)c1cc(Br)ccc1NC(=O)c1cccc(O)c1
Show InChI InChI=1S/C14H10BrNO4/c15-9-4-5-12(11(7-9)14(19)20)16-13(18)8-2-1-3-10(17)6-8/h1-7,17H,(H,16,18)(H,19,20)
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n/an/a 1.00E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant AKR1C1 using S-tetralol as substrate by fluorimetry


Bioorg Med Chem Lett 22: 5948-51 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.062
BindingDB Entry DOI: 10.7270/Q2BK1DFR
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%