Found 929 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto-reductase family 1 member C3' 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 |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM17285
 ((2R,15'S)-5,5,15'-trimethyl-6-oxospiro[oxane-2,14'...)Show SMILES C[C@]12CCC3C(CCc4cc(ccc34)C(N)=O)C1CC[C@@]21CCC(C)(C)C(=O)O1 Show InChI InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18?,19?,20?,24-,25+/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 6.90 | -48.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
CHUL
| Assay Description A radioactive assay was used for the enzyme kinetics in the presence of EM1404 at different concentrations for its Ki determination. Reactions were i... |
J Biol Chem 282: 8368-79 (2007)
Article DOI: 10.1074/jbc.M606784200 BindingDB Entry DOI: 10.7270/Q27H1GVB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50384947
 (CHEMBL521703)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(N)=O)[C@@H]1CC[C@@]21CCC(C)(C)C(=O)O1 Show InChI InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18-,19-,20+,24+,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human GST-tagged 17betaHSD5 expressed in Escherichia coli by radiometric assay |
J Nat Prod 75: 716-21 (2012)
Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM220118
 (US9271961, EM1404)Show SMILES C[C@@]12CCC3C(CCc4cc(ccc34)C(N)=O)C1CC[C@@]21CCC(C)(C)C(=O)O1 Show InChI InChI=1S/C25H33NO3/c1-23(2)12-13-25(29-22(23)28)11-9-20-19-7-4-15-14-16(21(26)27)5-6-17(15)18(19)8-10-24(20,25)3/h5-6,14,18-20H,4,7-13H2,1-3H3,(H2,26,27)/t18?,19?,20?,24-,25-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| PC cid PC sid UniChem
| US Patent
| 6.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM35905
 (Tolfenamic acid | cid_610479 | flufenamic acid ana...)Show InChI InChI=1S/C14H12ClNO2/c1-9-11(15)6-4-8-12(9)16-13-7-3-2-5-10(13)14(17)18/h2-8,16H,1H3,(H,17,18) | PDB MMDB
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| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of human AKR1C3 using S-(+)-1,2,3,4-tetrahydro-1-naphthol as substrate |
J Nat Prod 75: 716-21 (2012)
Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50384946
 (CHEMBL511708)Show SMILES CC(C)=CCc1cc(\C=C\C(O)=O)ccc1OC(=O)CCc1ccccc1 Show InChI InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using NADP+ linked S-tetralol as substrate by fluorometr... |
J Nat Prod 75: 716-21 (2012)
Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50384946
 (CHEMBL511708)Show SMILES CC(C)=CCc1cc(\C=C\C(O)=O)ccc1OC(=O)CCc1ccccc1 Show InChI InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry in prese... |
J Nat Prod 75: 716-21 (2012)
Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50384946
 (CHEMBL511708)Show SMILES CC(C)=CCc1cc(\C=C\C(O)=O)ccc1OC(=O)CCc1ccccc1 Show InChI InChI=1S/C23H24O4/c1-17(2)8-12-20-16-19(10-14-22(24)25)9-13-21(20)27-23(26)15-11-18-6-4-3-5-7-18/h3-10,13-14,16H,11-12,15H2,1-2H3,(H,24,25)/b14-10+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 56 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry |
J Nat Prod 75: 716-21 (2012)
Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396749
 (CHEMBL2172258)Show InChI InChI=1S/C11H10N2O4S/c14-7-4-2-1-3-6(7)12-9(15)5-8-10(16)13-11(17)18-8/h1-4,14,16H,5H2,(H,12,15)(H,13,17) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant AKR1C3 assessed as S-tetralol oxidation by Cheng-Prusoff equation analysis |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM17636
 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
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| 140 | -39.8 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham
| Assay Description A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45... |
Cancer Res 64: 1802-10 (2004)
BindingDB Entry DOI: 10.7270/Q2JS9NPR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
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| 270 | -38.1 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham
| Assay Description A fluorescence assay was used to determine the kinetic constants for the oxidation of 3alpha-androstanediol. The fluorescence emission of NADPH at 45... |
Cancer Res 64: 1802-10 (2004)
BindingDB Entry DOI: 10.7270/Q2JS9NPR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50134036
 (2-(2,3-Dimethyl-phenylamino)-benzoic acid | 2-(2,3...)Show InChI InChI=1S/C15H15NO2/c1-10-6-5-9-13(11(10)2)16-14-8-4-3-7-12(14)15(17)18/h3-9,16H,1-2H3,(H,17,18) | PDB MMDB
Reactome pathway KEGG
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| 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM220117
 (US9271961, 4-Carboxy-2',4'-dinitrodiphenyl...)Show InChI InChI=1S/C13H9N3O6/c17-13(18)8-2-1-3-9(6-8)14-11-5-4-10(15(19)20)7-12(11)16(21)22/h1-7,14H,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| KEGG PC cid PC sid UniChem
| US Patent
| 380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50362836
 (ARTEPILLIN)Show InChI InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry |
J Nat Prod 75: 716-21 (2012)
Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50362836
 (ARTEPILLIN)Show InChI InChI=1S/C19H24O3/c1-13(2)5-8-16-11-15(7-10-18(20)21)12-17(19(16)22)9-6-14(3)4/h5-7,10-12,22H,8-9H2,1-4H3,(H,20,21)/b10-7+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 680 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Noncompetitive inhibition of human recombinant AKR1C3 expressed in Escherichia coli JM109 cells using S-tetralol as substrate by fluorometry in prese... |
J Nat Prod 75: 716-21 (2012)
Article DOI: 10.1021/np201002x BindingDB Entry DOI: 10.7270/Q2Z320P2 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM220121
 (US9271961, Cloxazolam)Show InChI InChI=1S/C17H14Cl2N2O2/c18-11-5-6-15-13(9-11)17(12-3-1-2-4-14(12)19)21(7-8-23-17)10-16(22)20-15/h1-6,9H,7-8,10H2,(H,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank PC cid PC sid UniChem
| US Patent
| 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396749
 (CHEMBL2172258)Show InChI InChI=1S/C11H10N2O4S/c14-7-4-2-1-3-6(7)12-9(15)5-8-10(16)13-11(17)18-8/h1-4,14,16H,5H2,(H,12,15)(H,13,17) | PDB MMDB
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
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| 2.10E+3 | -33.0 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham
| Assay Description Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing... |
Cancer Res 64: 1802-10 (2004)
BindingDB Entry DOI: 10.7270/Q2JS9NPR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396748
 (CHEMBL366350)Show InChI InChI=1S/C16H14N2O/c19-15-10-11-16(12-6-2-1-3-7-12)17-13-8-4-5-9-14(13)18(15)16/h1-9,17H,10-11H2 | PDB MMDB
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| 2.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Competitive inhibition of human recombinant AKR1C3 assessed as S-tetralol oxidation by Cheng-Prusoff equation analysis |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM17636
 (2-{[3-(trifluoromethyl)phenyl]amino}benzoic acid |...)Show InChI InChI=1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | PDB MMDB
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| 3.10E+3 | -32.0 | n/a | n/a | n/a | n/a | n/a | 7.0 | 30 |
The University of Birmingham
| Assay Description Enzyme activity was measured in the reductive direction against varying concentrations of androsterone. Initial velocities were measured by observing... |
Cancer Res 64: 1802-10 (2004)
BindingDB Entry DOI: 10.7270/Q2JS9NPR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396731
 (CHEMBL2172254)Show InChI InChI=1S/C15H10O5/c16-14(17)8-19-9-5-6-11-10-3-1-2-4-12(10)15(18)20-13(11)7-9/h1-7H,8H2,(H,16,17) | PDB MMDB
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| 4.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50219490
 (3-Bromo-5-phenylsalicylc acid | 5-bromo-4-hydroxyb...)Show InChI InChI=1S/C13H9BrO3/c14-11-7-9(8-4-2-1-3-5-8)6-10(12(11)15)13(16)17/h1-7,15H,(H,16,17) | PDB MMDB
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| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109 |
J Med Chem 52: 3259-64 (2009)
Article DOI: 10.1021/jm9001633 BindingDB Entry DOI: 10.7270/Q2765F6T |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM220116
 (US9271961, CBM)Show SMILES COc1ccc2n(cc(CNC(C)=O)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H17ClN2O3/c1-12(23)21-10-14-11-22(18-8-7-16(25-2)9-17(14)18)19(24)13-3-5-15(20)6-4-13/h3-9,11H,10H2,1-2H3,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| PC cid PC sid UniChem
| US Patent
| 6.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM17638
 (2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C19H16ClNO4/c1-11-15(10-18(22)23)16-9-14(25-2)7-8-17(16)21(11)19(24)12-3-5-13(20)6-4-12/h3-9H,10H2,1-2H3,(H,22,23) | PDB MMDB
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| PDB US Patent
| 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396739
 (CHEMBL2172243)Show InChI InChI=1S/C14H12N2O3/c15-14(19)10-5-1-2-6-11(10)16-8-9-4-3-7-12(17)13(9)18/h1-8,17-18H,(H2,15,19)/b16-8+ | PDB MMDB
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| Article PubMed
| 1.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50293439
 (2-(4-chlorobenzylidene)cyclopentylmethyl ether | C...)Show InChI InChI=1S/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+ | PDB MMDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 1.62E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50293436
 (2-(4-chlorobenzylidene)cyclopentyl ethyl ether | C...)Show InChI InChI=1S/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+ | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 2.05E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50240769
 (3-Phenyl-5-bromosalicylic acid | 5-Bromo-2-hydroxy...)Show InChI InChI=1S/C13H9BrO3/c14-9-6-10(8-4-2-1-3-5-8)12(15)11(7-9)13(16)17/h1-7,15H,(H,16,17) | PDB MMDB
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| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109 |
J Med Chem 52: 3259-64 (2009)
Article DOI: 10.1021/jm9001633 BindingDB Entry DOI: 10.7270/Q2765F6T |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396691
 (CHEMBL449572 | US9271961, Jasmonic acid)Show InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 | PDB MMDB
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| US Patent
| 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
US Patent
| Assay Description Compounds may be evaluated as selective reversible inhibitors of AKR1C3 by screening them against homogeneous recombinant AKR1C1-AKR1C4 expressed in ... |
US Patent US9271961 (2016)
BindingDB Entry DOI: 10.7270/Q27W6B22 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50249792
 (3,5-Dibromosalicylic acid | CHEMBL447448)Show InChI InChI=1S/C7H4Br2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12) | PDB MMDB
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| 2.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human recombinant type 2 3-alpha-HSD expressed in Escherichia coli JM109 |
J Med Chem 52: 3259-64 (2009)
Article DOI: 10.1021/jm9001633 BindingDB Entry DOI: 10.7270/Q2765F6T |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396748
 (CHEMBL366350)Show InChI InChI=1S/C16H14N2O/c19-15-10-11-16(12-6-2-1-3-7-12)17-13-8-4-5-9-14(13)18(15)16/h1-9,17H,10-11H2 | PDB MMDB
Reactome pathway KEGG
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 3.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50293435
 (2-(4-Chlorobenzylidene)cyclopentanone | CHEMBL5623...)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 | PDB MMDB
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| CHEMBL PC cid PC sid UniChem
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| Article PubMed
| 3.34E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396740
 (CHEMBL2172242)Show InChI InChI=1S/C14H12N2O2/c15-14(18)12-6-1-2-7-13(12)16-9-10-4-3-5-11(17)8-10/h1-9,17H,(H2,15,18)/b16-9+ | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 3.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM34643
 (3-(2-carboxyethylamino)-2-naphthalenecarboxylic ac...)Show InChI InChI=1S/C14H13NO4/c16-13(17)5-6-15-12-8-10-4-2-1-3-9(10)7-11(12)14(18)19/h1-4,7-8,15H,5-6H2,(H,16,17)(H,18,19) | PDB MMDB
Reactome pathway KEGG
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B.MOAD DrugBank antibodypedia GoogleScholar
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PC cid PC sid UniChem
| Article PubMed
| 4.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396732
 (CHEMBL2172252)Show InChI InChI=1S/C16H11NO3/c18-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)17-15/h1-9,18H,(H,19,20) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50293437
 (3-Phenylcyclopentanecarboxylic acid | CHEMBL554283)Show InChI InChI=1S/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) | PDB MMDB
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| Article PubMed
| 6.96E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396736
 (CHEMBL2172249)Show InChI InChI=1S/C15H13NO3/c17-14(11-5-2-1-3-6-11)10-16-13-8-4-7-12(9-13)15(18)19/h1-9,16H,10H2,(H,18,19) | PDB MMDB
Reactome pathway KEGG
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| Article PubMed
| 7.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396729
 (CHEMBL1414132)Show InChI InChI=1S/C16H13NO3/c18-15-10-20-14-7-6-12(8-13(14)9-17-15)16(19)11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,18) | PDB MMDB
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 7.60E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396741
 (CHEMBL2172240)Show InChI InChI=1S/C14H13NO5/c1-7-5-12(20-8(7)2)13(17)15-9-3-4-11(16)10(6-9)14(18)19/h3-6,16H,1-2H3,(H,15,17)(H,18,19) | PDB MMDB
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| Article PubMed
| 8.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396745
 (CHEMBL1580175)Show InChI InChI=1S/C16H14N2O/c1-12(19)18-15-9-7-14(8-10-15)16(11-17)13-5-3-2-4-6-13/h2-10,16H,1H3,(H,18,19) | PDB MMDB
Reactome pathway KEGG
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 8.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM26269
 (3,5-dichloro-2-hydroxybenzoic acid | 3,5-dichloros...)Show InChI InChI=1S/C7H4Cl2O3/c8-3-1-4(7(11)12)6(10)5(9)2-3/h1-2,10H,(H,11,12) | PDB MMDB
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| 9.40E+4 | -23.0 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
Monash University
| Assay Description The activity was assayed by measuring the rate of change in NADPH fluorescence (at 455 nm with an excitation wavelength of 340 nm) at 298 K. When the... |
J Med Chem 51: 4844-8 (2008)
Article DOI: 10.1021/jm8003575 BindingDB Entry DOI: 10.7270/Q2MG7MTW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396735
 (CHEMBL2172250)Show InChI InChI=1S/C14H13NO4S/c1-10-5-7-13(8-6-10)20(18,19)15-12-4-2-3-11(9-12)14(16)17/h2-9,15H,1H3,(H,16,17) | PDB MMDB
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| 1.11E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396733
 (CHEMBL2172251)Show InChI InChI=1S/C15H13N3O2/c1-10-6-7-18(17-10)9-11-8-13(15(19)20)12-4-2-3-5-14(12)16-11/h2-8H,9H2,1H3,(H,19,20) | PDB MMDB
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| Article PubMed
| 1.17E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396750
 (CHEMBL2172259)Show InChI InChI=1S/C13H11N5O2/c19-12-5-9(15-8-16-12)7-14-13(20)11-6-10-3-1-2-4-18(10)17-11/h1-6,8H,7H2,(H,14,20)(H,15,16,19) | PDB MMDB
Reactome pathway KEGG
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| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.18E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396742
 (CHEMBL1373742)Show InChI InChI=1S/C14H13NO5/c1-7-5-10(8(2)20-7)13(17)15-9-3-4-12(16)11(6-9)14(18)19/h3-6,16H,1-2H3,(H,15,17)(H,18,19) | PDB MMDB
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| Article PubMed
| 1.18E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396738
 (CHEMBL2172247)Show InChI InChI=1S/C14H11N3O2/c18-13(19)9-4-3-5-10(8-9)15-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H,18,19)(H2,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.42E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396737
 (CHEMBL2172248)Show InChI InChI=1S/C14H15N3O2/c1-8-4-5-11(14(18)19)7-12(8)17-13-6-9(2)15-10(3)16-13/h4-7H,1-3H3,(H,18,19)(H,15,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.44E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396734
 (CHEMBL1896308)Show InChI InChI=1S/C14H13NO4S/c1-15(12-9-7-11(8-10-12)14(16)17)20(18,19)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.48E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396730
 (CHEMBL1328030)Show InChI InChI=1S/C13H13NO4S/c15-13(16)7-8-14-19(17,18)12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9,14H,7-8H2,(H,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.48E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry |
J Med Chem 55: 7417-24 (2012)
Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9 |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50396691
 (CHEMBL449572 | US9271961, Jasmonic acid)Show InChI InChI=1S/C12H18O3/c1-2-3-4-5-10-9(8-12(14)15)6-7-11(10)13/h3-4,9-10H,2,5-8H2,1H3,(H,14,15)/b4-3-/t9-,10-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL KEGG PC cid PC sid PDB UniChem
| Article PubMed
| 1.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant AKR1C3 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair | |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(Homo sapiens (Human)) | BDBM50427622
 (CHEMBL2323508 | US9346803, Table 2, Compound 10: 3...)Show SMILES CCc1c(CCC(O)=O)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12 Show InChI InChI=1S/C21H20ClNO4/c1-3-16-17-12-15(27-2)8-9-19(17)23(18(16)10-11-20(24)25)21(26)13-4-6-14(22)7-5-13/h4-9,12H,3,10-11H2,1-2H3,(H,24,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| US Patent
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Vanderbilt University
US Patent
| Assay Description Inhibitors were initially screened for an ability to block the NADP+ dependent oxidation of the artificial substrate S-tetralol catalyzed by AKR1C3. ... |
US Patent US9346803 (2016)
BindingDB Entry DOI: 10.7270/Q2154FXN |
More data for this Ligand-Target Pair | |