Found 242 hits with Last Name = 'heinrich' and Initial = 'dm' 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 C3
(Homo sapiens (Human)) | BDBM50446016
(CHEMBL3103330)Show InChI InChI=1S/C15H19Cl2N3O2/c16-12-1-2-14(13(17)11-12)18-3-5-19(6-4-18)15(21)20-7-9-22-10-8-20/h1-2,11H,3-10H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446017
(CHEMBL3103349)Show InChI InChI=1S/C15H20IN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430719
(CHEMBL2333522)Show SMILES C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O |r| Show InChI InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3/t13-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) overexpressed in human HCT116 cells assessed as inhibition of aerobic reduction of dinitrobenzamide... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446018
(CHEMBL3103348)Show InChI InChI=1S/C15H20BrN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446015
(CHEMBL3103331)Show InChI InChI=1S/C16H22ClN3O2/c1-13-12-14(17)2-3-15(13)18-4-6-19(7-5-18)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446014
(CHEMBL3103332)Show InChI InChI=1S/C16H22ClN3O3/c17-14-1-2-15(13(11-14)12-21)18-3-5-19(6-4-18)16(22)20-7-9-23-10-8-20/h1-2,11,21H,3-10,12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430718
(CHEMBL2333523)Show InChI InChI=1S/C16H22N2O3S/c1-13-4-2-10-17(12-13)22(20,21)15-8-6-14(7-9-15)18-11-3-5-16(18)19/h6-9,13H,2-5,10-12H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) overexpressed in human HCT116 cells assessed as inhibition of aerobic reduction of dinitrobenzamide... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446019
(CHEMBL3103347)Show InChI InChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430719
(CHEMBL2333522)Show SMILES C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O |r| Show InChI InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3/t13-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) overexpressed in human HCT116 cells assessed as inhibition of aerobic reduction of dinitrobenzamide... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446020
(CHEMBL3103346)Show InChI InChI=1S/C16H20F3N3O2/c17-16(18,19)13-1-3-14(4-2-13)20-5-7-21(8-6-20)15(23)22-9-11-24-12-10-22/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430716
(CHEMBL2333525)Show SMILES C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(cc1)N1CCCC1=O |r| Show InChI InChI=1S/C17H24N2O3S/c1-13-5-3-6-14(2)19(13)23(21,22)16-10-8-15(9-11-16)18-12-4-7-17(18)20/h8-11,13-14H,3-7,12H2,1-2H3/t13-,14-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) overexpressed in human HCT116 cells assessed as inhibition of aerobic reduction of dinitrobenzamide... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50396700
(CHEMBL2172076)Show InChI InChI=1S/C19H20N2O3S/c22-19-6-3-12-21(19)17-7-9-18(10-8-17)25(23,24)20-13-11-15-4-1-2-5-16(15)14-20/h1-2,4-5,7-10H,3,6,11-14H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) overexpressed in human HCT116 cells assessed as inhibition of aerobic reduction of dinitrobenzamide... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446016
(CHEMBL3103330)Show InChI InChI=1S/C15H19Cl2N3O2/c16-12-1-2-14(13(17)11-12)18-3-5-19(6-4-18)15(21)20-7-9-22-10-8-20/h1-2,11H,3-10H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446013
(CHEMBL3103334)Show InChI InChI=1S/C14H19BrN4O2/c15-12-1-2-13(16-11-12)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50396700
(CHEMBL2172076)Show InChI InChI=1S/C19H20N2O3S/c22-19-6-3-12-21(19)17-7-9-18(10-8-17)25(23,24)20-13-11-15-4-1-2-5-16(15)14-20/h1-2,4-5,7-10H,3,6,11-14H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 52 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430716
(CHEMBL2333525)Show SMILES C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(cc1)N1CCCC1=O |r| Show InChI InChI=1S/C17H24N2O3S/c1-13-5-3-6-14(2)19(13)23(21,22)16-10-8-15(9-11-16)18-12-4-7-17(18)20/h8-11,13-14H,3-7,12H2,1-2H3/t13-,14-/m0/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 56 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50445995
(CHEMBL3103323)Show SMILES OCC(=O)N1CCN(CC1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H23ClN4O3/c18-14-1-3-15(4-2-14)19-5-9-21(10-6-19)17(25)22-11-7-20(8-12-22)16(24)13-23/h1-4,23H,5-13H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446017
(CHEMBL3103349)Show InChI InChI=1S/C15H20IN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446020
(CHEMBL3103346)Show InChI InChI=1S/C16H20F3N3O2/c17-16(18,19)13-1-3-14(4-2-13)20-5-7-21(8-6-20)15(23)22-9-11-24-12-10-22/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430718
(CHEMBL2333523)Show InChI InChI=1S/C16H22N2O3S/c1-13-4-2-10-17(12-13)22(20,21)15-8-6-14(7-9-15)18-11-3-5-16(18)19/h6-9,13H,2-5,10-12H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 84 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430719
(CHEMBL2333522)Show SMILES C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O |r| Show InChI InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3/t13-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 88 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430719
(CHEMBL2333522)Show SMILES C[C@@H]1CCCCN1S(=O)(=O)c1ccc(cc1)N1CCCC1=O |r| Show InChI InChI=1S/C16H22N2O3S/c1-13-5-2-3-12-18(13)22(20,21)15-9-7-14(8-10-15)17-11-4-6-16(17)19/h7-10,13H,2-6,11-12H2,1H3/t13-/m1/s1 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 94 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446013
(CHEMBL3103334)Show InChI InChI=1S/C14H19BrN4O2/c15-12-1-2-13(16-11-12)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446019
(CHEMBL3103347)Show InChI InChI=1S/C15H20ClN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446015
(CHEMBL3103331)Show InChI InChI=1S/C16H22ClN3O2/c1-13-12-14(17)2-3-15(13)18-4-6-19(7-5-18)16(21)20-8-10-22-11-9-20/h2-3,12H,4-11H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430722
(CHEMBL1726890)Show InChI InChI=1S/C15H20N2O3S/c18-15-5-4-12-17(15)13-6-8-14(9-7-13)21(19,20)16-10-2-1-3-11-16/h6-9H,1-5,10-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446018
(CHEMBL3103348)Show InChI InChI=1S/C15H20BrN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446014
(CHEMBL3103332)Show InChI InChI=1S/C16H22ClN3O3/c17-14-1-2-15(13(11-14)12-21)18-3-5-19(6-4-18)16(22)20-7-9-23-10-8-20/h1-2,11,21H,3-10,12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430717
(CHEMBL2333524)Show InChI InChI=1S/C16H22N2O3S/c1-13-8-11-17(12-9-13)22(20,21)15-6-4-14(5-7-15)18-10-2-3-16(18)19/h4-7,13H,2-3,8-12H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 1
(Homo sapiens (Human)) | BDBM22971
(2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...)Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of COX1 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446022
(CHEMBL3103335)Show InChI InChI=1S/C16H22ClN3O2/c17-15-3-1-14(2-4-15)13-18-5-7-19(8-6-18)16(21)20-9-11-22-12-10-20/h1-4H,5-13H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50445994
(CHEMBL3103324)Show InChI InChI=1S/C20H22ClN3O/c21-18-5-7-19(8-6-18)22-11-13-23(14-12-22)20(25)24-10-9-16-3-1-2-4-17(16)15-24/h1-8H,9-15H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446031
(CHEMBL3103363)Show InChI InChI=1S/C16H23N3O3/c1-21-15-4-2-14(3-5-15)17-6-8-18(9-7-17)16(20)19-10-12-22-13-11-19/h2-5H,6-13H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 350 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446032
(CHEMBL3103362)Show InChI InChI=1S/C16H23N3O2/c1-14-2-4-15(5-3-14)17-6-8-18(9-7-17)16(20)19-10-12-21-13-11-19/h2-5H,6-13H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50445994
(CHEMBL3103324)Show InChI InChI=1S/C20H22ClN3O/c21-18-5-7-19(8-6-18)22-11-13-23(14-12-22)20(25)24-10-9-16-3-1-2-4-17(16)15-24/h1-8H,9-15H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 390 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(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
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 | 410 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50445995
(CHEMBL3103323)Show SMILES OCC(=O)N1CCN(CC1)C(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C17H23ClN4O3/c18-14-1-3-15(4-2-14)19-5-9-21(10-6-19)17(25)22-11-7-20(8-12-22)16(24)13-23/h1-4,23H,5-13H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446021
(CHEMBL3103336)Show InChI InChI=1S/C16H20ClN3O3/c17-14-3-1-13(2-4-14)15(21)18-5-7-19(8-6-18)16(22)20-9-11-23-12-10-20/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 480 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446027
(CHEMBL1418164)Show InChI InChI=1S/C15H20FN3O2/c16-13-1-3-14(4-2-13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446023
(CHEMBL3103333)Show InChI InChI=1S/C14H19ClN4O2/c15-13-2-1-12(11-16-13)17-3-5-18(6-4-17)14(20)19-7-9-21-10-8-19/h1-2,11H,3-10H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM22971
(2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...)Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(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
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UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 560 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C3 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446024
(CHEMBL3103356)Show SMILES [O-][N+](=O)c1ccc(cc1)N1CCN(CC1)C(=O)N1CCOCC1 Show InChI InChI=1S/C15H20N4O4/c20-15(18-9-11-23-12-10-18)17-7-5-16(6-8-17)13-1-3-14(4-2-13)19(21)22/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 570 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446028
(CHEMBL3103345)Show InChI InChI=1S/C17H21N3O2/c1-2-15-3-5-16(6-4-15)18-7-9-19(10-8-18)17(21)20-11-13-22-14-12-20/h1,3-6H,7-14H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 660 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446034
(CHEMBL3103359)Show InChI InChI=1S/C16H20F3N3O2/c17-16(18,19)13-3-1-2-4-14(13)20-5-7-21(8-6-20)15(23)22-9-11-24-12-10-22/h1-4H,5-12H2 | PDB MMDB
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 Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Prostaglandin G/H synthase 2
(Homo sapiens (Human)) | BDBM22971
(2-[(2,6-dichloro-3-methylphenyl)amino]benzoic acid...)Show InChI InChI=1S/C14H11Cl2NO2/c1-8-6-7-10(15)13(12(8)16)17-11-5-3-2-4-9(11)14(18)19/h2-7,17H,1H3,(H,18,19) | PDB MMDB
NCI pathway 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
| DrugBank PDB Article PubMed
| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of COX2 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430714
(CHEMBL2333527)Show SMILES O[C@@H]1CCCN(C1)S(=O)(=O)c1ccc(cc1)N1CCCC1=O |r| Show InChI InChI=1S/C15H20N2O4S/c18-13-3-1-9-16(11-13)22(20,21)14-7-5-12(6-8-14)17-10-2-4-15(17)19/h5-8,13,18H,1-4,9-11H2/t13-/m1/s1 | PDB MMDB
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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 | 1.55E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50446035
(CHEMBL3103358)Show InChI InChI=1S/C15H20ClN3O2/c16-13-3-1-2-4-14(13)17-5-7-18(8-6-17)15(20)19-9-11-21-12-10-19/h1-4H,5-12H2 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay |
Bioorg Med Chem 22: 967-77 (2014)
Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM |
More data for this Ligand-Target Pair | |
Aldo-keto reductase family 1 member C1
(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 | 2.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of AKR1C1 (unknown origin) |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Aldo-keto reductase family 1 member C3
(Homo sapiens (Human)) | BDBM50430703
(CHEMBL2333919)Show InChI InChI=1S/C15H21N3O3S/c1-12-5-2-3-10-18(12)22(20,21)14-8-7-13(11-16-14)17-9-4-6-15(17)19/h7-8,11-12H,2-6,9-10H2,1H3 | PDB MMDB
KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2.77E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of His-tagged human AKR1C3 expressed in Escherichia coli BL21 (DE3) assessed as inhibition of reduction of non-fluorescent ketone probe to... |
Eur J Med Chem 62: 738-44 (2013)
Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX |
More data for this Ligand-Target Pair | |