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Target
Androgen receptor
Ligand
BDBM19251
Substrate
BDBM26258
Meas. Tech.
Competitive Radioligand Displacement Assay
pH
7.4±n/a
Temperature
277.15±n/a K
Ki
14.4±4.4 nM
Comments
IC50=29400 +/- 1600 for inhibiting growth of prostate cancer cell line, LNCaP.
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 Chem 14:6525-38 (2006) [PubMed]  Article
Target
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:
MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREAIQNPGPRHPEAASIAPPGACLQQRQETSPRRRRRQQHPEDGSPQAHIRGTTGYLALEEEQQPSQQQSASEGHPESGCLPEPGAATAPGKGLPQQPPAPPDQDDSAAPSTLSLLGPTFPGLSSCSADIKDILSEAGTMQLLQQQQQQQQQQQQQQQQQQQQQQEVISEGSSSVRAREATGAPSSSKDSYLGGNSTISDSAKELCKAVSVSMGLGVEALEHLSPGEQLRGDCMYASLLGGPPAVRPTPCAPLAECKGLSLDEGPGKGTEETAEYSSFKGGYAKGLEGESLGCSGSSEAGSSGTLEIPSSLSLYKSGAVDEAAAYQNRDYYNFPLALSGPPHPPPPTHPHARIKLENPSDYGSAWAAAAAQCRYGDLASLHGGSVAGPSTGSPPATASSSWHTLFTAEEGQLYGPGGGGGSSSPSDAGPVAPYGYTRPPQGLASQEGDFSASEVWYPGGVVNRVPYPSPSCVKSEMGPWMENYSGPYGDMRLDSTRDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRNDCTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGENSSAGSPTEDPSQKMTVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ
  
Inhibitor
Name:
BDBM19251
Synonyms:
(2R)-2-hydroxy-3-[(4-isothiocyanatobenzene)sulfonyl]-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | arylisothiocyanato derivative, R-36
Type:
Small organic molecule
Emp. Form.:
C18H14F3N3O6S2
Mol. Mass.:
489.445
SMILES:
C[C@](O)(CS(=O)(=O)c1ccc(cc1)N=C=S)C(=O)Nc1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM26258
Synonyms:
(1S,2R,9R,10R,11S,14S,15S)-14-hydroxy-9,14,15-trimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-6-en-5-one | [3H]MIB | [3H]Mibolerone
Type:
radiolabeled ligand
Emp. Form.:
C20H30O2
Mol. Mass.:
302.451
SMILES:
[H][C@@]12CC[C@](C)(O)[C@@]1(C)CC[C@]1([H])[C@@]3([H])CCC(=O)C=C3C[C@@H](C)[C@@]21[H] |c:20|
Structure:
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