Reaction Details |
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Target | Androgen receptor |
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Ligand | BDBM50067678 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_321687 (CHEMBL872182) |
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IC50 | 794.33±n/a nM |
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Citation | Lill, MA; Winiger, F; Vedani, A; Ernst, B Impact of induced fit on ligand binding to the androgen receptor: a multidimensional QSAR study to predict endocrine-disrupting effects of environmental chemicals. J Med Chem48:5666-74 (2005) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Androgen receptor |
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Name: | Androgen receptor |
Synonyms: | ANDR_RAT | Androgen receptor (AR) | Ar | Estrogen receptor | Nr3c4 | androgen |
Type: | Enzyme |
Mol. Mass.: | 98219.08 |
Organism: | Rattus norvegicus (Rat) |
Description: | P15207 |
Residue: | 902 |
Sequence: | MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREAIQNPGPRHPEAASIAPPGACLQQRQET
SPRRRRRQQHPEDGSPQAHIRGTTGYLALEEEQQPSQQQSASEGHPESGCLPEPGAATAP
GKGLPQQPPAPPDQDDSAAPSTLSLLGPTFPGLSSCSADIKDILSEAGTMQLLQQQQQQQ
QQQQQQQQQQQQQQQEVISEGSSSVRAREATGAPSSSKDSYLGGNSTISDSAKELCKAVS
VSMGLGVEALEHLSPGEQLRGDCMYASLLGGPPAVRPTPCAPLAECKGLSLDEGPGKGTE
ETAEYSSFKGGYAKGLEGESLGCSGSSEAGSSGTLEIPSSLSLYKSGAVDEAAAYQNRDY
YNFPLALSGPPHPPPPTHPHARIKLENPSDYGSAWAAAAAQCRYGDLASLHGGSVAGPST
GSPPATASSSWHTLFTAEEGQLYGPGGGGGSSSPSDAGPVAPYGYTRPPQGLASQEGDFS
ASEVWYPGGVVNRVPYPSPSCVKSEMGPWMENYSGPYGDMRLDSTRDHVLPIDYYFPPQK
TCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRNDCTIDKFRRKNCPSCRLR
KCYEAGMTLGARKLKKLGNLKLQEEGENSSAGSPTEDPSQKMTVSHIEGYECQPIFLNVL
EAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVI
QYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWL
QITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFY
QLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFH
TQ
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BDBM50067678 |
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n/a |
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Name | BDBM50067678 |
Synonyms: | (6alpha)-17-(Acetyloxy)-6-methylpreg-4-ene-3,20-dione | (6alpha)-6-methyl-3,20-dioxopregn-4-en-17-yl acetate | 17-Acetoxy-6alpha-methylprogesterone | 17alpha-Hydroxy-6alpha-methylprogesterone acetate | 6-alpha-Methyl-17-alpha-acetoxyprogesterone | 6-alpha-Methyl-17-alpha-hydroxyprogesterone acetate | 6alpha-Methyl-17-acetoxy progesterone | 6alpha-Methyl-17alpha-hydroxyprogesterone acetate | 6alpha-Methyl-4-pregnene-3,20-dion-17alpha-ol acetate | MEDROXYPROGESTERONE | Medroxyacetate progesterone | Medroxyprogesterone 17-acetate | Methylacetoxyprogesterone | Metigestrona | US9271961, MPA | medroxyprogesterone acetate |
Type | Small organic molecule |
Emp. Form. | C24H34O4 |
Mol. Mass. | 386.5244 |
SMILES | C[C@H]1C[C@H]2[C@@H]3CC[C@](OC(C)=O)(C(C)=O)[C@@]3(C)CC[C@@H]2[C@@]2(C)CCC(=O)C=C12 |r,t:28| |
Structure |
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