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Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'brozic' and Initial = 'p'   
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
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335199
PNG
(3-Acetyl-7-(4-hydroxyphenyl)-2H-chromen-2-one | CH...)
Show SMILES CC(=O)c1cc2ccc(cc2oc1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H12O4/c1-10(18)15-8-13-3-2-12(9-16(13)21-17(15)20)11-4-6-14(19)7-5-11/h2-9,19H,1H3
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143n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335195
PNG
(3-Acetyl-2-oxo-2H-chromen-7-yl trifluoromethanesul...)
Show SMILES CC(=O)c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2oc1=O
Show InChI InChI=1S/C12H7F3O6S/c1-6(16)9-4-7-2-3-8(5-10(7)20-11(9)17)21-22(18,19)12(13,14)15/h2-5H,1H3
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173n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335198
PNG
(3-Acetyl-7-(4-methoxyphenyl)-2H-chromen-2-one | CH...)
Show SMILES COc1ccc(cc1)-c1ccc2cc(C(C)=O)c(=O)oc2c1
Show InChI InChI=1S/C18H14O4/c1-11(19)16-9-14-4-3-13(10-17(14)22-18(16)20)12-5-7-15(21-2)8-6-12/h3-10H,1-2H3
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585n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335197
PNG
(3-Acetyl-7-para-tolyl-2H-chromen-2-one | CHEMBL165...)
Show SMILES CC(=O)c1cc2ccc(cc2oc1=O)-c1ccc(C)cc1
Show InChI InChI=1S/C18H14O3/c1-11-3-5-13(6-4-11)14-7-8-15-9-16(12(2)19)18(20)21-17(15)10-14/h3-10H,1-2H3
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585n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335196
PNG
(3-Acetyl-7-phenyl-2H-chromen-2-one | CHEMBL1650699)
Show SMILES CC(=O)c1cc2ccc(cc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C17H12O3/c1-11(18)15-9-14-8-7-13(10-16(14)20-17(15)19)12-5-3-2-4-6-12/h2-10H,1H3
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911n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by competitive inhibition assay in presence of...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50293439
PNG
(2-(4-chlorobenzylidene)cyclopentylmethyl ether | C...)
Show SMILES COC1CCC\C1=C/c1ccc(Cl)cc1
Show InChI InChI=1/C13H15ClO/c1-15-13-4-2-3-11(13)9-10-5-7-12(14)8-6-10/h5-9,13H,2-4H2,1H3/b11-9+
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1.62E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293435
PNG
(2-(4-Chlorobenzylidene)cyclopentanone | CHEMBL5623...)
Show SMILES Clc1ccc(C=C2CCCC2=O)cc1 |w:5.4|
Show InChI InChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-8H,1-3H2/b10-8+
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1.72E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293435
PNG
(2-(4-Chlorobenzylidene)cyclopentanone | CHEMBL5623...)
Show SMILES Clc1ccc(C=C2CCCC2=O)cc1 |w:5.4|
Show InChI InChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-8H,1-3H2/b10-8+
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1.72E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50293436
PNG
(2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...)
Show SMILES CCOC1CCC\C1=C/c1ccc(Cl)cc1
Show InChI InChI=1/C14H17ClO/c1-2-16-14-5-3-4-12(14)10-11-6-8-13(15)9-7-11/h6-10,14H,2-5H2,1H3/b12-10+
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2.05E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293436
PNG
(2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...)
Show SMILES CCOC1CCC\C1=C/c1ccc(Cl)cc1
Show InChI InChI=1/C14H17ClO/c1-2-16-14-5-3-4-12(14)10-11-6-8-13(15)9-7-11/h6-10,14H,2-5H2,1H3/b12-10+
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3.05E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293436
PNG
(2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...)
Show SMILES CCOC1CCC\C1=C/c1ccc(Cl)cc1
Show InChI InChI=1/C14H17ClO/c1-2-16-14-5-3-4-12(14)10-11-6-8-13(15)9-7-11/h6-10,14H,2-5H2,1H3/b12-10+
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3.05E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50293435
PNG
(2-(4-Chlorobenzylidene)cyclopentanone | CHEMBL5623...)
Show SMILES Clc1ccc(C=C2CCCC2=O)cc1 |w:5.4|
Show InChI InChI=1S/C12H11ClO/c13-11-6-4-9(5-7-11)8-10-2-1-3-12(10)14/h4-8H,1-3H2/b10-8+
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3.34E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293438
PNG
(1-phenylcyclopentanecarboxylic acid | CHEMBL554543)
Show SMILES OC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
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3.58E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293438
PNG
(1-phenylcyclopentanecarboxylic acid | CHEMBL554543)
Show SMILES OC(=O)C1(CCCC1)c1ccccc1
Show InChI InChI=1S/C12H14O2/c13-11(14)12(8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,13,14)
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3.58E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293437
PNG
(3-Phenylcyclopentanecarboxylic acid | CHEMBL554283)
Show SMILES OC(=O)C1CCC(C1)c1ccccc1
Show InChI InChI=1/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
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4.85E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50293437
PNG
(3-Phenylcyclopentanecarboxylic acid | CHEMBL554283)
Show SMILES OC(=O)C1CCC(C1)c1ccccc1
Show InChI InChI=1/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
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6.96E+4n/an/an/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C3 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335200
PNG
(3-Benzyl-2-(2-bromo-3,4,5-trimethoxy-phenyl)-8-hyd...)
Show SMILES COc1cc(c(Br)c(OC)c1OC)-c1nc2sc3c(O)cccc3c2c(=O)n1Cc1ccccc1
Show InChI InChI=1S/C26H21BrN2O5S/c1-32-18-12-16(20(27)22(34-3)21(18)33-2)24-28-25-19(15-10-7-11-17(30)23(15)35-25)26(31)29(24)13-14-8-5-4-6-9-14/h4-12,30H,13H2,1-3H3
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n/an/a 5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of 17beta-HSD1


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335199
PNG
(3-Acetyl-7-(4-hydroxyphenyl)-2H-chromen-2-one | CH...)
Show SMILES CC(=O)c1cc2ccc(cc2oc1=O)-c1ccc(O)cc1
Show InChI InChI=1S/C17H12O4/c1-10(18)15-8-13-3-2-12(9-16(13)21-17(15)20)11-4-6-14(19)7-5-11/h2-9,19H,1H3
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n/an/a 270n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by scintillation counting in presence of bacte...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335195
PNG
(3-Acetyl-2-oxo-2H-chromen-7-yl trifluoromethanesul...)
Show SMILES CC(=O)c1cc2ccc(OS(=O)(=O)C(F)(F)F)cc2oc1=O
Show InChI InChI=1S/C12H7F3O6S/c1-6(16)9-4-7-2-3-8(5-10(7)20-11(9)17)21-22(18,19)12(13,14)15/h2-5H,1H3
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n/an/a 360n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by scintillation counting in presence of bacte...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50339185
PNG
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)
Show SMILES COc1ccc2cc(ccc2c1)[C@H](C)C(O)=O |r|
Show InChI InChI=1/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/s2
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n/an/a 480n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1C3


Bioorg Med Chem Lett 15: 5170-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.063
BindingDB Entry DOI: 10.7270/Q27D2VX4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50060998
PNG
(3-Phenoxy-benzoic acid | 3-phenoxybenzoic acid | C...)
Show SMILES OC(=O)c1cccc(Oc2ccccc2)c1
Show InChI InChI=1S/C13H10O3/c14-13(15)10-5-4-8-12(9-10)16-11-6-2-1-3-7-11/h1-9H,(H,14,15)
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n/an/a 680n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1C3


Bioorg Med Chem Lett 15: 5170-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.063
BindingDB Entry DOI: 10.7270/Q27D2VX4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335198
PNG
(3-Acetyl-7-(4-methoxyphenyl)-2H-chromen-2-one | CH...)
Show SMILES COc1ccc(cc1)-c1ccc2cc(C(C)=O)c(=O)oc2c1
Show InChI InChI=1S/C18H14O4/c1-11(19)16-9-14-4-3-13(10-17(14)22-18(16)20)12-5-7-15(21-2)8-6-12/h3-10H,1-2H3
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n/an/a 1.14E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by scintillation counting in presence of bacte...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335197
PNG
(3-Acetyl-7-para-tolyl-2H-chromen-2-one | CHEMBL165...)
Show SMILES CC(=O)c1cc2ccc(cc2oc1=O)-c1ccc(C)cc1
Show InChI InChI=1S/C18H14O3/c1-11-3-5-13(6-4-11)14-7-8-15-9-16(12(2)19)18(20)21-17(15)10-14/h3-10H,1-2H3
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by scintillation counting in presence of bacte...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
11-beta-hydroxysteroid dehydrogenase 1


(Homo sapiens (human))
BDBM50335196
PNG
(3-Acetyl-7-phenyl-2H-chromen-2-one | CHEMBL1650699)
Show SMILES CC(=O)c1cc2ccc(cc2oc1=O)-c1ccccc1
Show InChI InChI=1S/C17H12O3/c1-11(18)15-9-14-8-7-13(10-16(14)20-17(15)19)12-5-3-2-4-6-12/h2-10H,1H3
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n/an/a 1.93E+3n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Displacement of [3H]estrone human recombinant 17beta-HSD1 expressed in Escherichia coli BL21 (DE3)-RIL by scintillation counting in presence of bacte...


J Med Chem 54: 248-61 (2011)


Article DOI: 10.1021/jm101104z
BindingDB Entry DOI: 10.7270/Q2QV3NG1
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50174201
PNG
(ARTHROTEC | DICLOFENAC SODIUM | GP 45840 | SOLARAZ...)
Show SMILES [O-]C(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)/p-1
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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 human AKR1C3


Bioorg Med Chem Lett 15: 5170-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.063
BindingDB Entry DOI: 10.7270/Q27D2VX4
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50174204
PNG
(2-[(2,2-diphenylacetyl)amino]benzoic acid | CHEMBL...)
Show SMILES OC(=O)c1ccccc1NC(=O)C(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C21H17NO3/c23-20(22-18-14-8-7-13-17(18)21(24)25)19(15-9-3-1-4-10-15)16-11-5-2-6-12-16/h1-14,19H,(H,22,23)(H,24,25)
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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1C3


Bioorg Med Chem Lett 15: 5170-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.063
BindingDB Entry DOI: 10.7270/Q27D2VX4
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50009859
PNG
((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)
Show SMILES CC(C)Cc1ccc(cc1)C(C)C(O)=O
Show InChI InChI=1/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1C3


Bioorg Med Chem Lett 15: 5170-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.063
BindingDB Entry DOI: 10.7270/Q27D2VX4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50174203
PNG
(2-(4-bromobenzoyl)benzoic acid | CHEMBL198745)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C14H9BrO3/c15-10-7-5-9(6-8-10)13(16)11-3-1-2-4-12(11)14(17)18/h1-8H,(H,17,18)
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n/an/a 3.90E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1C3


Bioorg Med Chem Lett 15: 5170-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.063
BindingDB Entry DOI: 10.7270/Q27D2VX4
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50145840
PNG
(2-(4-Methyl-benzoyl)-benzoic acid | 2-(4-methylben...)
Show SMILES Cc1ccc(cc1)C(=O)c1ccccc1C(O)=O
Show InChI InChI=1S/C15H12O3/c1-10-6-8-11(9-7-10)14(16)12-4-2-3-5-13(12)15(17)18/h2-9H,1H3,(H,17,18)
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n/an/a 4.40E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1C3


Bioorg Med Chem Lett 15: 5170-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.063
BindingDB Entry DOI: 10.7270/Q27D2VX4
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50174202
PNG
(2-benzoylbenzoic acid | CHEMBL196812)
Show SMILES OC(=O)c1ccccc1C(=O)c1ccccc1
Show InChI InChI=1S/C14H10O3/c15-13(10-6-2-1-3-7-10)11-8-4-5-9-12(11)14(16)17/h1-9H,(H,16,17)
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n/an/a 7.00E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1C3


Bioorg Med Chem Lett 15: 5170-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.063
BindingDB Entry DOI: 10.7270/Q27D2VX4
More data for this
Ligand-Target Pair
Aldo-keto reductase family 1 member C1


(Homo sapiens (human))
BDBM50293437
PNG
(3-Phenylcyclopentanecarboxylic acid | CHEMBL554283)
Show SMILES OC(=O)C1CCC(C1)c1ccccc1
Show InChI InChI=1/C12H14O2/c13-12(14)11-7-6-10(8-11)9-4-2-1-3-5-9/h1-5,10-11H,6-8H2,(H,13,14)
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n/an/a 9.86E+4n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of human recombinant GST-tagged AKR1C1 expressed in Escherichia coli BL21


Eur J Med Chem 44: 2563-71 (2009)


Article DOI: 10.1016/j.ejmech.2009.01.028
BindingDB Entry DOI: 10.7270/Q2319VW9
More data for this
Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)


(Homo sapiens (human))
BDBM50174205
PNG
(4-methoxybenzophenone | CHEMBL198085 | cid_69146)
Show SMILES COc1ccc(cc1)C(=O)c1ccccc1
Show InChI InChI=1S/C14H12O2/c1-16-13-9-7-12(8-10-13)14(15)11-5-3-2-4-6-11/h2-10H,1H3
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n/an/a 1.80E+5n/an/an/an/an/an/a



University of Ljubljana

Curated by ChEMBL


Assay Description
Inhibition of recombinant human AKR1C3


Bioorg Med Chem Lett 15: 5170-5 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.063
BindingDB Entry DOI: 10.7270/Q27D2VX4
More data for this
Ligand-Target Pair