Found 493 hits of ic50 for UniProtKB: P52895 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 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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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 AffyNet
| 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; The Trustees of the University of Pennsylvania
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)) | BDBM50385711
(CHEMBL22815)Show InChI InChI=1S/C13H10ClNO2/c14-9-4-3-5-10(8-9)15-12-7-2-1-6-11(12)13(16)17/h1-8,15H,(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
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
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 AffyNet
| 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385765
(CHEMBL2043318)Show SMILES COc1ccc(C(O)=O)c(Nc2ccc(cc2)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H12N2O5/c1-21-11-6-7-12(14(17)18)13(8-11)15-9-2-4-10(5-3-9)16(19)20/h2-8,15H,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
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385761
(CHEMBL2043313)Show SMILES COc1ccc(C(O)=O)c(Nc2cccc(c2)[N+]([O-])=O)c1 Show InChI InChI=1S/C14H12N2O5/c1-21-11-5-6-12(14(17)18)13(8-11)15-9-3-2-4-10(7-9)16(19)20/h2-8,15H,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
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385722
(CHEMBL2043310)Show InChI InChI=1S/C15H12F3NO3/c1-22-11-5-6-12(14(20)21)13(8-11)19-10-4-2-3-9(7-10)15(16,17)18/h2-8,19H,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
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385766
(CHEMBL2043319)Show InChI InChI=1S/C16H15NO4/c1-10(18)11-3-5-12(6-4-11)17-15-9-13(21-2)7-8-14(15)16(19)20/h3-9,17H,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
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50124575
(CHEMBL3623735)Show InChI InChI=1S/C13H10F5NO2S/c14-22(15,16,17,18)10-5-3-4-9(8-10)19-12-7-2-1-6-11(12)13(20)21/h1-8,19H,(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
| n/a | n/a | 270 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM35901
(cid_201986 | flufenamic acid analogue, 28)Show InChI InChI=1S/C13H10N2O4/c16-13(17)11-3-1-2-4-12(11)14-9-5-7-10(8-6-9)15(18)19/h1-8,14H,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385762
(CHEMBL2043314)Show InChI InChI=1S/C14H12ClNO3/c1-19-11-5-6-12(14(17)18)13(8-11)16-10-4-2-3-9(15)7-10/h2-8,16H,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
| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385767
(CHEMBL2043320)Show InChI InChI=1S/C14H12ClNO3/c1-19-11-6-7-12(14(17)18)13(8-11)16-10-4-2-9(15)3-5-10/h2-8,16H,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
| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(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
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
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of AKR1C2 by fluorimetric method |
Bioorg Med Chem Lett 21: 1464-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.010 BindingDB Entry DOI: 10.7270/Q24J0FD4 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
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| PDB US Patent
| n/a | n/a | 370 | 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 | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385713
(CHEMBL23479)Show InChI InChI=1S/C14H13NO2/c1-10-5-4-6-11(9-10)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385715
(CHEMBL2043302)Show InChI InChI=1S/C15H13NO3/c1-10(17)11-6-8-12(9-7-11)16-14-5-3-2-4-13(14)15(18)19/h2-9,16H,1H3,(H,18,19) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385716
(CHEMBL2043303)Show InChI InChI=1S/C13H10ClNO2/c14-9-5-7-10(8-6-9)15-12-4-2-1-3-11(12)13(16)17/h1-8,15H,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50337278
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| US Patent
| n/a | n/a | 440 | 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 | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50337278
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of AKR1C2 by fluorimetric method |
Bioorg Med Chem Lett 21: 1464-8 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.010 BindingDB Entry DOI: 10.7270/Q24J0FD4 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50337278
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE KEGG PC cid PC sid PDB UniChem
Patents
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| Article PubMed
| n/a | n/a | 440 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385739
(CHEMBL2041001)Show InChI InChI=1S/C15H12BrNO3/c1-9(18)10-2-7-14(13(8-10)15(19)20)17-12-5-3-11(16)4-6-12/h2-8,17H,1H3,(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
| n/a | n/a | 490 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385710
(CHEMBL2043300)Show InChI InChI=1S/C13H10N2O4/c16-13(17)11-6-1-2-7-12(11)14-9-4-3-5-10(8-9)15(18)19/h1-8,14H,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid UniChem
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| Article PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Inhibition of recombinant N-terminal GST-tagged human AKR1C2 expressed in Escherichia coli BL21 (DE) Codon Plus RP cells using S-tetralol as substrat... |
Eur J Med Chem 150: 930-945 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.040 BindingDB Entry DOI: 10.7270/Q2S46VMT |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(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
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Torino
Curated by ChEMBL
| Assay Description Antagonistic activity against TP-receptor by inhibition of U 46619-induced contraction of isolated guinea pig trachea |
Eur J Med Chem 139: 936-946 (2017)
Article DOI: 10.1016/j.ejmech.2017.08.046 BindingDB Entry DOI: 10.7270/Q2Q52S4X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385768
(CHEMBL2043321)Show InChI InChI=1S/C14H12BrNO3/c1-19-11-6-7-12(14(17)18)13(8-11)16-10-4-2-9(15)3-5-10/h2-8,16H,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
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50241828
(CHEMBL4089817)Show InChI InChI=1S/C19H16FNO4/c20-14-6-3-12(4-7-14)2-1-9-21-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,22H,1-2,9H2,(H,21,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 610 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AKR1C2 using S-tetralol as substrate |
J Med Chem 60: 8441-8455 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(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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B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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| PDB US Patent
| n/a | n/a | 630 | 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 | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385771
(CHEMBL2040884)Show InChI InChI=1S/C18H21NO3/c1-18(2,3)12-5-7-13(8-6-12)19-16-11-14(22-4)9-10-15(16)17(20)21/h5-11,19H,1-4H3,(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
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM69369
(2-(4-methoxyanilino)benzoic acid | 2-(p-anisidino)...)Show InChI InChI=1S/C14H13NO3/c1-18-11-8-6-10(7-9-11)15-13-5-3-2-4-12(13)14(16)17/h2-9,15H,1H3,(H,16,17) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50595596
(CHEMBL5203670)Show SMILES CCCc1cc(=O)[nH]c(SCC(=O)c2ccc3NC(=O)CCCc3c2)n1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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MCE PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acsmedchemlett.2c00175 BindingDB Entry DOI: 10.7270/Q2DB85WJ |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385763
(CHEMBL2043316)Show InChI InChI=1S/C15H15NO3/c1-10-4-3-5-11(8-10)16-14-9-12(19-2)6-7-13(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
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385769
(CHEMBL2043322)Show InChI InChI=1S/C15H15NO4/c1-19-11-5-3-10(4-6-11)16-14-9-12(20-2)7-8-13(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
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385740
(CHEMBL2041002)Show InChI InChI=1S/C16H15NO4/c1-10(18)11-3-8-15(14(9-11)16(19)20)17-12-4-6-13(21-2)7-5-12/h3-9,17H,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
| n/a | n/a | 910 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385719
(CHEMBL2043307)Show InChI InChI=1S/C14H12N2O5/c1-21-9-6-7-12(13(8-9)16(19)20)15-11-5-3-2-4-10(11)14(17)18/h2-8,15H,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
| n/a | n/a | 920 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50241817
(CHEMBL4081954)Show InChI InChI=1S/C19H17NO5/c21-14-6-3-12(4-7-14)2-1-9-20-18(23)16-10-13-5-8-15(22)11-17(13)25-19(16)24/h3-8,10-11,21-22H,1-2,9H2,(H,20,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 970 | n/a | n/a | n/a | n/a | n/a | n/a |
Gifu Pharmaceutical University
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AKR1C2 using S-tetralol as substrate |
J Med Chem 60: 8441-8455 (2017)
Article DOI: 10.1021/acs.jmedchem.7b00830 BindingDB Entry DOI: 10.7270/Q2NZ89S7 |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385772
(CHEMBL2040851)Show InChI InChI=1S/C15H13NO5/c1-21-11-6-7-12(15(19)20)13(8-11)16-10-4-2-9(3-5-10)14(17)18/h2-8,16H,1H3,(H,17,18)(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
| n/a | n/a | 980 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM35916
(flufenamic acid analogue, 42)Show InChI InChI=1S/C17H19NO2/c1-17(2,3)12-8-10-13(11-9-12)18-15-7-5-4-6-14(15)16(19)20/h4-11,18H,1-3H3,(H,19,20) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385770
(CHEMBL2043323)Show InChI InChI=1S/C15H15NO3/c1-10-3-5-11(6-4-10)16-14-9-12(19-2)7-8-13(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
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50385712
(CHEMBL1328677)Show InChI InChI=1S/C14H13NO3/c1-18-11-6-4-5-10(9-11)15-13-8-3-2-7-12(13)14(16)17/h2-9,15H,1H3,(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
| n/a | n/a | 1.11E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C2 assessed as NADP+ dependent oxidation of S-tetralol by fluorescence assay |
J Med Chem 55: 2311-23 (2012)
Article DOI: 10.1021/jm201547v BindingDB Entry DOI: 10.7270/Q2C24XGP |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C2
(Homo sapiens (Human)) | BDBM50339185
((2S)-2-(6-methoxynaphthalen-2-yl)propanoic acid | ...)Show InChI InChI=1S/C14H14O3/c1-9(14(15)16)10-3-4-12-8-13(17-2)6-5-11(12)7-10/h3-9H,1-2H3,(H,15,16)/t9-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB US Patent
| n/a | n/a | 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description the inhibitory potency of the individual compounds against the AKR1C isoforms was determined by monitoring the NADP+ dependent oxidation of S-tetralo... |
Citation and Details
BindingDB Entry DOI: 10.7270/Q2NS0Z58 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |