Reaction Details |
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Target | Aldo-keto reductase family 1 member C3/Glutathione S-transferase P |
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Ligand | BDBM254824 |
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Substrate/Competitor | n/a |
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Meas. Tech. | Inhibitory Activity Assay |
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pH | 7±n/a |
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IC50 | 1.8±n/a nM |
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Comments | extracted |
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Citation | Bothe, U; Barak, N; Busemann, M; Fischer, OM; Rotgeri, A; Gashaw, I; Hartung, I; Marquardt, T Estra-1,3,5(10),16-tetraene-3-carboxamide derivatives, processes for their preparation, pharmaceutical preparations comprising them and their use for preparing medicaments US Patent US9487554 Publication Date 11/8/2016 |
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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/Glutathione S-transferase P |
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Name: | Aldo-keto reductase family 1 member C3/Glutathione S-transferase P |
Synonyms: | GST-Aldo-keto reductase family 1 member C3 (AKR1C3) |
Type: | Enzyme |
Mol. Mass.: | n/a |
Description: | n/a |
Components: | This complex has 2 components. |
Component 1 |
Name: | Glutathione S-transferase P |
Synonyms: | FAEES3 | GST class-pi | GST3 | GSTP1 | GSTP1-1 | GSTP1_HUMAN | Glutathione S-transferase | Glutathione S-transferase (GST) | Glutathione S-transferase P | Glutathione S-transferase Pi | Glutathione transferase (GST) |
Type: | Enzyme |
Mol. Mass.: | 23353.53 |
Organism: | Homo sapiens (Human) |
Description: | P09211 |
Residue: | 210 |
Sequence: | MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGD
LTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYV
KALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAY
VGRLSARPKLKAFLASPEYVNLPINGNGKQ
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Component 2 |
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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BDBM254824 |
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n/a |
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Name | BDBM254824 |
Synonyms: | US9487554, 11 |
Type | Small organic molecule |
Emp. Form. | C30H33FN2O3 |
Mol. Mass. | 488.593 |
SMILES | C[C@]12CC[C@H]3[C@@H](CCc4cc(ccc34)C(=O)N[C@@H]3CCC[C@@H]3C(O)=O)[C@@H]1CC=C2c1cncc(F)c1 |r,c:31| |
Structure |
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