Reaction Details  Report a problem with these data
Target
Aldo-keto reductase family 1 member C2
Ligand
BDBM50024763
Substrate
n/a
Meas. Tech.
ChEMBL_1438119 (CHEMBL3388494)
IC50
>100000±n/a nM
Citation
 Endo, S; Hu, D; Matsunaga, T; Otsuji, Y; El-Kabbani, O; Kandeel, M; Ikari, A; Hara, A; Kitade, Y; Toyooka, N Synthesis of non-prenyl analogues of baccharin as selective and potent inhibitors for aldo-keto reductase 1C3. Bioorg Med Chem 22:5220-33 (2014) [PubMed]  Article
Target
Name:
Aldo-keto reductase family 1 member C2
Synonyms:
3-alpha-HSD3 | 3-alpha-Hydroxysteroid Dehydrogenase Type 3 (AKR1C2) | AK1C2_HUMAN | AKR1C2 | Aldo-keto reductase family 1 member C2 (AK1C2) | Aldo-keto reductase family 1 member C2 (AK1C2a) | Aldo-keto reductase family 1 member C2 (AKR1C2) | Chlordecone reductase homolog HAKRD | DD-2 | DD/BABP | DDH2 | Dihydrodiol dehydrogenase 2 | Dihydrodiol dehydrogenase/bile acid-binding protein | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase | Type III 3-alpha-hydroxysteroid dehydrogenase
Type:
Enzyme
Mol. Mass.:
36739.89
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
323
Sequence:
MDSKYQCVKLNDGHFMPVLGFGTYAPAEVPKSKALEAVKLAIEAGFHHIDSAHVYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSNSHRPELVRPALERSLKNLQLDYVDLYLIHFPVSVKPGEEVIPKDENGKILFDTVDLCATWEAMEKCKDAGLAKSIGVSNFNHRLLEMILNKPGLKYKPVCNQVECHPYFNQRKLLDFCKSKDIVLVAYSALGSHREEPWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTSEEMKAIDGLNRNVRYLTLDIFAGPPNYPFSDEY
  
Inhibitor
Name:
BDBM50024763
Synonyms:
CHEMBL3337722
Type:
Small organic molecule
Emp. Form.:
C26H24O6
Mol. Mass.:
432.4652
SMILES:
COc1cccc(COc2cc(\C=C\C(O)=O)ccc2OC(=O)CCc2ccccc2)c1
Structure:
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