Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member C3
Ligand
BDBM264506
Substrate
n/a
Meas. Tech.
AKR1C3-Inhibitory Action
pH
7±n/a
IC50
17.0±n/a nM
Comments
extracted
Citation
 Bothe, U; Busemann, M; Barak, N; Rotgeri, A; Fischer, OM; Marquardt, T Estra-1,3,5(10),16-tetraene-3-carboxamides for inhibition of 17.beta.-hydroxysteroid dehydrogenase (AKR1C3) US Patent  US9714266 Publication Date 7/25/2017 
Target
Name:
Aldo-keto reductase family 1 member C3
Synonyms:
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) | 3-alpha-HSD type 2 | AK1C3_HUMAN | AKR1C3 | Aldo-keto reductase family 1 member C3 | Aldo-keto reductase family 1 member C3 (AK1C3) | Aldo-keto reductase family 1 member C3 (AK1C3a) | Aldo-keto reductase family 1 member C3 (AKR1C3) | Aldo-keto-reductase family 1 member C3 | DDH1 | Dihydrodiol dehydrogenase 3 | Dihydrodiol dehydrogenase type I | Estradiol 17-beta-dehydrogenase | HSD17B5 | KIAA0119 | PGFS | Prostaglandin F synthase | Testosterone 17-beta-dehydrogenase 5 | Trans-1,2-dihydrobenzene-1,2-diol dehydrogenase
Type:
Enzyme
Mol. Mass.:
36859.86
Organism:
Homo sapiens (Human)
Description:
P42330
Residue:
323
Sequence:
MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQVGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPMSLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKPGLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPVLCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLDRNLHYFNSDSFASHPNYPYSDEY
  
Inhibitor
Name:
BDBM264506
Synonyms:
N?[(RS)-2,3-dihydroxypropyl]-17-(5-fluoropyridin-3-yl)-N-methyloestra-1,3,5(10),16-tetraene-3-carboxamide | US9714266, 35
Type:
Small organic molecule
Emp. Form.:
C28H33FN2O3
Mol. Mass.:
464.5716
SMILES:
[H][C@@]12CC=C(c3cncc(F)c3)[C@@]1(C)CC[C@]1([H])c3ccc(cc3CC[C@@]21[H])C(=O)N(C)CC(O)CO |r,t:3|
Structure:
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