Found 68 hits of ki data for polymerid = 2894,3017,5642 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Aldo-keto reductase family 1 member C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.850 | 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 Competitive inhibition of human recombinant AKR1C1 Phe311Leu mutant by fluorescence assay |
Bioorg Med Chem Lett 21: 2564-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 0.860 | 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 wild type AKR1C1 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 C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 1.20 | 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 Competitive inhibition of human recombinant AKR1C1 Leu308Ala mutant by fluorescence assay |
Bioorg Med Chem Lett 21: 2564-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | 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 wild type AKR1C1 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 (docked) |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.30 | 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 wild type AKR1C1 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 (docked) |
Aldo-keto reductase family 1 member C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB 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 Competitive inhibition of human recombinant AKR1C1 Phe311Ala mutant by fluorescence assay |
Bioorg Med Chem Lett 21: 2564-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 1.70 | 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 Competitive inhibition of human recombinant AKR1C1 Leu308Val mutant by fluorescence assay |
Bioorg Med Chem Lett 21: 2564-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2 | 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 wild type AKR1C1 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 (docked) |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.10 | 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 wild type AKR1C1 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 (docked) |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 2.60 | 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 wild type AKR1C1 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 (docked) |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM50179201
(((2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1C[C@H](CCCCCCCCC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc3c(N)ncnc13)[C@@H]2O |r| Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22-,25+,26+,27-,28+,31+,32+,33-,36+,37-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| MMDB PDB Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Innsbruck
Curated by ChEMBL
| Assay Description Inhibition of human recombinant 17beta-HSD1 expressed in HEK293 cell lysate assessed as conversion of radiolabeled estrone to estradiol |
J Med Chem 51: 4188-99 (2008)
Article DOI: 10.1021/jm800054h BindingDB Entry DOI: 10.7270/Q2Q81F0N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
CHUQ - Pavillon CHUL and Université Laval
Curated by ChEMBL
| Assay Description Inhibition of (unknown origin) 17beta-HSD1 assessed as conversion of [14C]estradiol to [14C]estrone using NADP+ |
Eur J Med Chem 43: 2298-306 (2008)
Article DOI: 10.1016/j.ejmech.2008.01.044 BindingDB Entry DOI: 10.7270/Q2P84BP6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM17290
(E2-adenosine hybrid compound, 8 | EM-1745 | EM1745...)Show SMILES [H][C@@]12CC(CCCCCCCCC(=O)OCC3OC(C(O)C3O)n3cnc4c(N)ncnc34)[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C37H51N5O7/c1-37-15-14-25-24-13-11-23(43)16-21(24)10-12-26(25)27(37)17-22(33(37)47)8-6-4-2-3-5-7-9-29(44)48-18-28-31(45)32(46)36(49-28)42-20-41-30-34(38)39-19-40-35(30)42/h11,13,16,19-20,22,25-28,31-33,36,43,45-47H,2-10,12,14-15,17-18H2,1H3,(H2,38,39,40)/t22?,25-,26-,27+,28?,31?,32?,33+,36?,37+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| 3 | -12.1 | n/a | n/a | n/a | n/a | n/a | 7.5 | 37 |
CHUL
| Assay Description For steady-state kinetic study of hybrid inhibitors, a Fluorolog 3 instrument was used to monitor the fluorescent signal of NADPH formed during estra... |
FASEB J 16: 1829-31 (2002)
Article DOI: 10.1096/fj.02-0026fje BindingDB Entry DOI: 10.7270/Q23T9FGW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 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 20-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 | 3D Structure (docked) |
Aldo-keto reductase family 1 member C1
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10 | 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 wild type AKR1C1 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 (docked) |
Aldo-keto reductase family 1 member C1
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 4.10 | 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 AKR1C1 assessed as 1-acenaphthenol oxidation at 400 uM 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 (docked) |
Aldo-keto reductase family 1 member C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| 4.80 | 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 Competitive inhibition of human recombinant AKR1C1 Leu54Val mutant by fluorescence assay |
Bioorg Med Chem Lett 21: 2564-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 5.90 | -11.2 | 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 C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 5.90 | 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 wild type AKR1C1 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 C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 6.60 | 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 Competitive inhibition of human recombinant AKR1C1 Phe311Ala mutant by fluorescence assay |
Bioorg Med Chem Lett 21: 2564-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 7 | 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 Competitive inhibition of human recombinant AKR1C1 Phe311Leu mutant by fluorescence assay |
Bioorg Med Chem Lett 21: 2564-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 9 | 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 20-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 | 3D Structure (docked) |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| 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 wild type AKR1C1 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 (docked) |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 64 | 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 wild type AKR1C1 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 (docked) |
Aldo-keto reductase family 1 member C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB 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 Competitive inhibition of human recombinant AKR1C1 Leu306Ala mutant by fluorescence assay |
Bioorg Med Chem Lett 21: 2564-7 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.076 BindingDB Entry DOI: 10.7270/Q20G3NZ0 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 96 | 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 wild type AKR1C1 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 (docked) |
Aldo-keto reductase family 1 member C1
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 140 | 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 20-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 | 3D Structure (docked) |
17-beta-hydroxysteroid dehydrogenase type 2
(Homo sapiens (Human)) | BDBM50366340
(CHEMBL514046)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@]21CCC(=O)O1 Show InChI InChI=1S/C21H26O3/c1-20-9-6-16-15-5-3-14(22)12-13(15)2-4-17(16)18(20)7-10-21(20)11-8-19(23)24-21/h3,5,12,16-18,22H,2,4,6-11H2,1H3/t16-,17-,18+,20+,21-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article
| 250 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibitory constant against human placenta 17-beta-hydroxysteroid dehydrogenase type 2 (17-beta-HSD type 2) |
Bioorg Med Chem Lett 4: 2045-2048 (1994)
Article DOI: 10.1016/S0960-894X(01)80560-6 BindingDB Entry DOI: 10.7270/Q2PK0GN0 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 340 | 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 wild type AKR1C1 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 (docked) |
Aldo-keto reductase family 1 member C1
(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
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 810 | 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 AKR1C1 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 C1
(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 AffyNet
| Purchase
KEGG PC cid PC sid UniChem
| US Patent
| 2.66E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Trustees of the 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 type 1
(Homo sapiens (Human)) | BDBM50406414
(CHEMBL76061)Show InChI InChI=1S/C18H20O2/c1-3-17(20)18(2)9-8-16-13(11-18)5-4-12-10-14(19)6-7-15(12)16/h1,6-7,10,13,16,19H,4-5,8-9,11H2,2H3/t13?,16?,18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| PubMed
| 2.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Washington University School of Medicine
Curated by ChEMBL
| Assay Description Tested by protection experiments to demonstrate the inactivation of estradiol dehydrogenase and the kinetic parameter Ki app was reported at a concen... |
J Med Chem 33: 2319-21 (1990)
BindingDB Entry DOI: 10.7270/Q2765DB6 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 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 AKR1C1 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 type 1
(Homo sapiens (Human)) | BDBM50400841
(CHEMBL2205681)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1Cc1cn[nH]c21 |r| Show InChI InChI=1S/C19H22N2O/c1-19-7-6-15-14-5-3-13(22)8-11(14)2-4-16(15)17(19)9-12-10-20-21-18(12)19/h3,5,8,10,15-17,22H,2,4,6-7,9H2,1H3,(H,20,21)/t15-,16-,17+,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 4.08E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human estradiol 17beta-dehydrogenase |
J Med Chem 54: 2529-91 (2011)
Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH |
More data for this Ligand-Target Pair | |
17-beta-hydroxysteroid dehydrogenase type 1
(Homo sapiens (Human)) | BDBM17289
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)Show SMILES [H][C@@]12CCC(=O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human estradiol 17beta-dehydrogenase |
J Med Chem 54: 2529-91 (2011)
Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| 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 |
The Trustees of the 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 type 1
(Homo sapiens (Human)) | BDBM50400840
(CHEMBL2205682)Show SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](Cc5cn[nH]c45)[C@@H]3CCc2c1 |r| Show InChI InChI=1S/C20H24N2O/c1-20-8-7-16-15-6-4-14(23-2)9-12(15)3-5-17(16)18(20)10-13-11-21-22-19(13)20/h4,6,9,11,16-18H,3,5,7-8,10H2,1-2H3,(H,21,22)/t16-,17-,18+,20+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.28E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human estradiol 17beta-dehydrogenase |
J Med Chem 54: 2529-91 (2011)
Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.72E+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 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
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.72E+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 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)) | 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 AffyNet
| Purchase
PC cid PC sid UniChem
| Article PubMed
| 1.90E+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 AKR1C1 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 type 1
(Homo sapiens (Human)) | BDBM48630
((8R,9S,13S,14S)-3-methoxy-13-methyl-7,8,9,11,12,14...)Show SMILES COc1ccc2[C@H]3CC[C@@]4(C)[C@@H](CCC4=O)[C@@H]3CCc2c1 Show InChI InChI=1S/C19H24O2/c1-19-10-9-15-14-6-4-13(21-2)11-12(14)3-5-16(15)17(19)7-8-18(19)20/h4,6,11,15-17H,3,5,7-10H2,1-2H3/t15-,16-,17+,19+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of human estradiol 17beta-dehydrogenase |
J Med Chem 54: 2529-91 (2011)
Article DOI: 10.1021/jm1013693 BindingDB Entry DOI: 10.7270/Q24M95PH |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(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 AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 2.70E+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 AKR1C1 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 C1
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.05E+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 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
(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
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.05E+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 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)) | 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 AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 3.10E+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 AKR1C1 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 C1
(Homo sapiens (Human)) | BDBM50293438
(1-phenylcyclopentanecarboxylic acid | CHEMBL554543)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.58E+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 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
(1-phenylcyclopentanecarboxylic acid | CHEMBL554543)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) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 3.58E+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 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
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Patents
| Article PubMed
| 4.85E+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 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)) | 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 AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.00E+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 AKR1C1 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 C1
(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 AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| 5.60E+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 AKR1C1 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 | |