Found 425 hits Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C2' 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 |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330426
 (5-Fluoro-4-hydroxybiphenyl-3-carboxylic acid | CHE...)Show InChI InChI=1S/C13H9FO3/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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.5 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330431
 (4'-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxylic a...)Show InChI InChI=1S/C17H17ClO3/c1-2-3-4-11-5-7-12(8-6-11)13-9-14(17(20)21)16(19)15(18)10-13/h5-10,19H,2-4H2,1H3,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 14 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330428
 (5-Chloro-4-hydroxy-3'-methylbiphenyl-3-carboxylic ...)Show InChI InChI=1S/C14H11ClO3/c1-8-3-2-4-9(5-8)10-6-11(14(17)18)13(16)12(15)7-10/h2-7,16H,1H3,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 17 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330427
 (5-Chloro-4-hydroxybiphenyl-3-carboxylic acid | CHE...)Show InChI InChI=1S/C13H9ClO3/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
Reactome pathway KEGG
UniProtKB/SwissProt
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| 21 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330424
 (5-Chloro-4-hydroxy-4'-(trifluoromethoxy)biphenyl-3...)Show InChI InChI=1S/C14H8ClF3O4/c15-11-6-8(5-10(12(11)19)13(20)21)7-1-3-9(4-2-7)22-14(16,17)18/h1-6,19H,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 26 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330432
 (5-Chloro-4-hydroxy-4'-isobutylbiphenyl-3-carboxyli...)Show InChI InChI=1S/C17H17ClO3/c1-10(2)7-11-3-5-12(6-4-11)13-8-14(17(20)21)16(19)15(18)9-13/h3-6,8-10,19H,7H2,1-2H3,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 29 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330429
 (5-Chloro-4-hydroxy-4'-methylbiphenyl-3-carboxylic ...)Show InChI InChI=1S/C14H11ClO3/c1-8-2-4-9(5-3-8)10-6-11(14(17)18)13(16)12(15)7-10/h2-7,16H,1H3,(H,17,18) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 63 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
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| 70 | -40.8 | 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) |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB Article PubMed
| 70 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| 82 | 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 3 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 | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
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| Article PubMed
| 87 | 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 3 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 | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
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| Article PubMed
| 87 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330425
 (3-chloro-2-hydroxy-5-(phenylethynyl)benzoic acid |...)Show InChI InChI=1S/C15H9ClO3/c16-13-9-11(8-12(14(13)17)15(18)19)7-6-10-4-2-1-3-5-10/h1-5,8-9,17H,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 168 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(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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| PDB Article PubMed
| 220 | 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 AKR1C2 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) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330423
 (4'-tert-Butyl-5-chloro-4-hydroxybiphenyl-3-carboxy...)Show InChI InChI=1S/C17H17ClO3/c1-17(2,3)12-6-4-10(5-7-12)11-8-13(16(20)21)15(19)14(18)9-11/h4-9,19H,1-3H3,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 470 | 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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(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
| 1.32E+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 | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
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| Article PubMed
| 1.97E+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 3 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50330430
 (5-Chloro-4-hydroxy-4'-(1-methoxyethyl)biphenyl-3-c...)Show InChI InChI=1S/C16H15ClO4/c1-9(21-2)10-3-5-11(6-4-10)12-7-13(16(19)20)15(18)14(17)8-12/h3-9,18H,1-2H3,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.00E+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 AKR1C2 dehydrogenase activity by fluorometric assay |
Eur J Med Chem 45: 5309-17 (2010)
Article DOI: 10.1016/j.ejmech.2010.08.052 BindingDB Entry DOI: 10.7270/Q2R78FF3 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(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
B.MOAD DrugBank antibodypedia GoogleScholar
| DrugBank PC cid PC sid UniChem
| US Patent
| >1.00E+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 | |
Aldo-keto reductase family 1 member C21
(Mus musculus) | BDBM50038843
 ((4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'...)Show SMILES Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 Show InChI InChI=1S/C19H11BrF2N2O4/c20-10-2-1-9(14(22)5-10)8-24-16(26)12-4-3-11(21)6-13(12)19(18(24)28)7-15(25)23-17(19)27/h1-6H,7-8H2,(H,23,25,27)/t19-/m1/s1 | PDB MMDB
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| Article PubMed
| 1.04E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant AKR1C21 |
Bioorg Med Chem 16: 3245-54 (2008)
Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C21
(Mus musculus) | BDBM7460
 (2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | PDB MMDB
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| Article PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant AKR1C21 |
Bioorg Med Chem 16: 3245-54 (2008)
Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(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
| 1.50E+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 | |
Aldo-keto reductase family 1 member C2
(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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| Article PubMed
| 1.80E+4 | 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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50396743
 (CHEMBL2172255)Show InChI InChI=1S/C15H15NO4/c17-13-6-11(10-4-2-1-3-5-10)7-14(18)12(13)8-16-9-15(19)20/h1-5,8,11,16H,6-7,9H2,(H,19,20)/b12-8- | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.82E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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Similars
| Article PubMed
| 2.13E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C21
(Mus musculus) | BDBM16314
 (2-{[6-methoxy-5-(trifluoromethyl)naphthalen-1-yl]-...)Show InChI InChI=1S/C16H14F3NO3S/c1-20(8-13(21)22)15(24)11-5-3-4-10-9(11)6-7-12(23-2)14(10)16(17,18)19/h3-7H,8H2,1-2H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD GoogleScholar
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| Article PubMed
| 2.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University
Curated by ChEMBL
| Assay Description Inhibition of mouse recombinant AKR1C21 |
Bioorg Med Chem 16: 3245-54 (2008)
Article DOI: 10.1016/j.bmc.2007.12.016 BindingDB Entry DOI: 10.7270/Q2PZ59P2 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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PC cid PC sid UniChem
| Article PubMed
| 3.30E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.00E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 4.62E+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 Competitive inhibition of human recombinant AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.73E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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Similars
| Article PubMed
| 5.80E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 9.00E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
| >1.00E+5 | 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 | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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Patents
Similars
| PDB US Patent
| >1.00E+5 | 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) |
Aldo-keto reductase family 1 member C2
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.03E+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 Competitive inhibition of human recombinant AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.19E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.21E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
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CHEMBL PC cid PC sid UniChem
| Article PubMed
| 1.37E+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 AKR1C2 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427620
 (CHEMBL2323507 | US9346803, 2)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(O)=O)c(C)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16-11-15(26-2)7-8-18(16)22(17(12)9-10-19(23)24)20(25)13-3-5-14(21)6-4-13/h3-8,11H,9-10H2,1-2H3,(H,23,24) | 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 | 14.5 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427627
 (CHEMBL2323474 | US9346803, Table 2, Compound 9: 2-...)Show SMILES COc1ccc2n(C(=O)c3ccc(cc3)C(F)(F)F)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C20H16F3NO4/c1-11-15(10-18(25)26)16-9-14(28-2)7-8-17(16)24(11)19(27)12-3-5-13(6-4-12)20(21,22)23/h3-9H,10H2,1-2H3,(H,25,26) | 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 | 35.7 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427628
 (CHEMBL2323472 | US9346803, Table 2, Compound 8: 2-...)Show SMILES COc1ccc2n(C(=O)c3ccc(CCl)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(10-19(23)24)17-9-15(26-2)7-8-18(17)22(12)20(25)14-5-3-13(11-21)4-6-14/h3-9H,10-11H2,1-2H3,(H,23,24) | 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 | 40.7 | 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 | |
Aldo-keto reductase family 1 member C2
(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 | 49.6 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427621
 (CHEMBL2323490 | US9346803, 1)Show SMILES COc1ccc2n(cc(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C19H14ClF3N2O5S/c1-30-14-6-7-16-15(9-14)12(8-17(26)24-31(28,29)19(21,22)23)10-25(16)18(27)11-2-4-13(20)5-3-11/h2-7,9-10H,8H2,1H3,(H,24,26) | 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 | 50.1 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427624
 (CHEMBL2323522 | US9346803, Table 2, Compound 11: 9...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c3CCC(Cc3c2c1)C(O)=O Show InChI InChI=1S/C21H18ClNO4/c1-27-15-7-9-19-17(11-15)16-10-13(21(25)26)4-8-18(16)23(19)20(24)12-2-5-14(22)6-3-12/h2-3,5-7,9,11,13H,4,8,10H2,1H3,(H,25,26) | 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 | 53.5 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427629
 (CHEMBL179587 | US9346803, Table 2, Compound 7: 2-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(C)cc3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C20H19NO4/c1-12-4-6-14(7-5-12)20(24)21-13(2)16(11-19(22)23)17-10-15(25-3)8-9-18(17)21/h4-10H,11H2,1-3H3,(H,22,23) | 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 | 54.5 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427625
 (CHEMBL178687 | US9346803, Table 2, Compound 6: 3-[...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CCC(O)=O)c2c1 Show InChI InChI=1S/C20H18ClNO4/c1-12-16(8-10-19(23)24)17-11-15(26-2)7-9-18(17)22(12)20(25)13-3-5-14(21)6-4-13/h3-7,9,11H,8,10H2,1-2H3,(H,23,24) | 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 | 57 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427626
 (CHEMBL2323481 | US9346803, Table 2, Compound 5: 2-...)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NS(=O)(=O)C(F)(F)F)c2c1 Show InChI InChI=1S/C20H16ClF3N2O5S/c1-11-15(10-18(27)25-32(29,30)20(22,23)24)16-9-14(31-2)7-8-17(16)26(11)19(28)12-3-5-13(21)6-4-12/h3-9H,10H2,1-2H3,(H,25,27) | 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 | 81 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50427619
 (CHEMBL2323511 | US9346803, 3)Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(CCC(=O)NS(C)(=O)=O)c(C)c2c1 Show InChI InChI=1S/C21H21ClN2O5S/c1-13-17-12-16(29-2)8-9-19(17)24(21(26)14-4-6-15(22)7-5-14)18(13)10-11-20(25)23-30(3,27)28/h4-9,12H,10-11H2,1-3H3,(H,23,25) | 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 | 93 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50293598
 (2'-des-methyl indomethacin | CHEMBL503179 | US9346...)Show SMILES COc1ccc2n(cc(CC(O)=O)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H14ClNO4/c1-24-14-6-7-16-15(9-14)12(8-17(21)22)10-20(16)18(23)11-2-4-13(19)5-3-11/h2-7,9-10H,8H2,1H3,(H,21,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEBI CHEMBL MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 100 | 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 |  3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50124577
 (CHEMBL3623738)Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-7-5-9(6-8-10)19-12-4-2-1-3-11(12)13(20)21/h1-8,19H,(H,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
RWTH Aachen University
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 (unknown origin) using S-tetralol as substrate |
Bioorg Med Chem Lett 25: 4437-40 (2015)
Article DOI: 10.1016/j.bmcl.2015.09.012 BindingDB Entry DOI: 10.7270/Q2M04786 |
More data for this Ligand-Target Pair | |