| Reaction Details |
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 | Report a problem with these data |
| Target | Aldo-keto reductase family 1 member C3/Glutathione S-transferase P |
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| Ligand | BDBM254815 |
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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 | 1.4±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 |
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| Synonyms: | GST-Aldo-keto reductase family 1 member C3 (AKR1C3) |
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| Type: | Enzyme |
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| Mol. Mass.: | n/a |
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| Description: | n/a |
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| Components: | This complex has 2 components. |
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| Component 1 |
| Name: | Glutathione S-transferase P |
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| 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) |
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| Type: | Enzyme |
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| Mol. Mass.: | 23353.53 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P09211 |
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| Residue: | 210 |
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| Sequence: | MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLYGQLPKFQDGD
LTLYQSNTILRHLGRTLGLYGKDQQEAALVDMVNDGVEDLRCKYISLIYTNYEAGKDDYV
KALPGQLKPFETLLSQNQGGKTFIVGDQISFADYNLLDLLLIHEVLAPGCLDAFPLLSAY
VGRLSARPKLKAFLASPEYVNLPINGNGKQ
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| Component 2 |
| Name: | Aldo-keto reductase family 1 member C3 |
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| 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 |
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| Type: | Enzyme |
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| Mol. Mass.: | 36859.86 |
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| Organism: | Homo sapiens (Human) |
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| Description: | P42330 |
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| Residue: | 323 |
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| Sequence: | MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHIDSAHLYNNEEQ
VGLAIRSKIADGSVKREDIFYTSKLWSTFHRPELVRPALENSLKKAQLDYVDLYLIHSPM
SLKPGEELSPTDENGKVIFDIVDLCTTWEAMEKCKDAGLAKSIGVSNFNRRQLEMILNKP
GLKYKPVCNQVECHPYFNRSKLLDFCKSKDIVLVAYSALGSQRDKRWVDPNSPVLLEDPV
LCALAKKHKRTPALIALRYQLQRGVVVLAKSYNEQRIRQNVQVFEFQLTAEDMKAIDGLD
RNLHYFNSDSFASHPNYPYSDEY
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| BDBM254815 |
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| n/a |
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| Name | BDBM254815 |
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| Synonyms: | US9487554, 2 |
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| Type | Small organic molecule |
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| Emp. Form. | C28H31FN2O3 |
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| Mol. Mass. | 462.5557 |
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| SMILES | CN(CCC(O)=O)C(=O)c1ccc2[C@H]3CC[C@@]4(C)[C@@H](CC=C4c4cncc(F)c4)[C@@H]3CCc2c1 |r,c:20| |
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| Structure | 
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