| Reaction Details |
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 | Report a problem with these data |
| Target | Androgen receptor |
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| Ligand | BDBM19249 |
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| Substrate/Competitor | BDBM26258 |
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| Meas. Tech. | Competitive Radioligand Displacement Assay |
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| pH | 7.4±n/a |
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| Temperature | 277.15±n/a K |
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| Ki | 41.2±5.9 nM |
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| Comments | IC50=13800 +/- 400 for inhibiting growth of prostate cancer cell line, LNCaP. |
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| Citation |  Hwang, DJ; Yang, J; Xu, H; Rakov, IM; Mohler, ML; Dalton, JT; Miller, DD Arylisothiocyanato selective androgen receptor modulators (SARMs) for prostate cancer. Bioorg Med Chem14:6525-38 (2006) [PubMed] Article |
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| More Info.: | Get all data from this article, Inhibition_Run data, Solution Info, Assay Method |
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| Androgen receptor |
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| Name: | Androgen receptor |
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| Synonyms: | ANDR_RAT | Androgen receptor (AR) | Ar | Estrogen receptor | Nr3c4 | androgen |
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| Type: | Enzyme |
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| Mol. Mass.: | 98219.08 |
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| Organism: | Rattus norvegicus (Rat) |
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| Description: | P15207 |
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| Residue: | 902 |
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| Sequence: | MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREAIQNPGPRHPEAASIAPPGACLQQRQET
SPRRRRRQQHPEDGSPQAHIRGTTGYLALEEEQQPSQQQSASEGHPESGCLPEPGAATAP
GKGLPQQPPAPPDQDDSAAPSTLSLLGPTFPGLSSCSADIKDILSEAGTMQLLQQQQQQQ
QQQQQQQQQQQQQQQEVISEGSSSVRAREATGAPSSSKDSYLGGNSTISDSAKELCKAVS
VSMGLGVEALEHLSPGEQLRGDCMYASLLGGPPAVRPTPCAPLAECKGLSLDEGPGKGTE
ETAEYSSFKGGYAKGLEGESLGCSGSSEAGSSGTLEIPSSLSLYKSGAVDEAAAYQNRDY
YNFPLALSGPPHPPPPTHPHARIKLENPSDYGSAWAAAAAQCRYGDLASLHGGSVAGPST
GSPPATASSSWHTLFTAEEGQLYGPGGGGGSSSPSDAGPVAPYGYTRPPQGLASQEGDFS
ASEVWYPGGVVNRVPYPSPSCVKSEMGPWMENYSGPYGDMRLDSTRDHVLPIDYYFPPQK
TCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRNDCTIDKFRRKNCPSCRLR
KCYEAGMTLGARKLKKLGNLKLQEEGENSSAGSPTEDPSQKMTVSHIEGYECQPIFLNVL
EAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVI
QYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWL
QITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFY
QLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFH
TQ
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| BDBM19249 |
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| BDBM26258 |
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| Name | BDBM19249 |
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| Synonyms: | (2S)-2-hydroxy-3-[(4-isothiocyanatophenyl)(methyl)amino]-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | arylisothiocyanato derivative, S-33 |
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| Type | Small organic molecule |
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| Emp. Form. | C19H17F3N4O4S |
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| Mol. Mass. | 454.423 |
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| SMILES | CN(C[C@](C)(O)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O)c1ccc(cc1)N=C=S |r| |
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| Structure | 
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