Reaction Details |
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Target | Aldo-keto reductase family 1 member C3 |
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Ligand | BDBM264483 |
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Substrate/Competitor | n/a |
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Meas. Tech. | AKR1C3-Inhibitory Action |
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pH | 7±n/a |
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IC50 | 21.0±n/a nM |
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Comments | extracted |
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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 |
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More Info.: | Get all data from this article, Assay Method |
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Aldo-keto reductase family 1 member C3 |
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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: | MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPM
SLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLD
RNLHYFNSDSFASHPNYPYSDEY
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BDBM264483 |
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n/a |
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Name | BDBM264483 |
Synonyms: | 17-(5-fluoropyridin-3-yl)-N?[(R)-3-(hydroxymethyl)butyl]estra-1,3,5(10),16-tetraene-3-carboxamide | US9714266, 12 |
Type | Small organic molecule |
Emp. Form. | C29H35FN2O2 |
Mol. Mass. | 462.5988 |
SMILES | C[C@@H](CO)CCNC(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| |
Structure |
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