Found 4 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(281/323 = 87%)† (Homo sapiens (Human)) | BDBM50169047
 ((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.27E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3)
(281/323 = 87%)† (Homo sapiens (Human)) | BDBM50009859
 ((+-)-2-(p-isobutylphenyl)propionic acid | (+-)-alp...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 3.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Ljubljana
Curated by ChEMBL
| Assay Description Inhibition of recombinant human AKR1C3 |
Bioorg Med Chem Lett 15: 5170-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.063 BindingDB Entry DOI: 10.7270/Q27D2VX4 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldo-keto reductase family 1 member C2
(323/323 = 100%)† (Homo sapiens (Human)) | BDBM50169047
 ((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4.24E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C2 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Aldo-keto reductase family 1 member C1
(316/323 = 98%)† (Homo sapiens (Human)) | BDBM50169047
 ((S)-2-(4-Isobutyl-phenyl)-propionic acid | (S)-2-(...)Show InChI InChI=1S/C13H18O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15/h4-7,9-10H,8H2,1-3H3,(H,14,15)/t10-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland
Curated by ChEMBL
| Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C1 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... |
J Med Chem 55: 7746-58 (2012)
Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |