Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM19246
Substrate
BDBM26258
Meas. Tech.
Competitive Radioligand Displacement Assay
pH
7.4±n/a
Temperature
277.15±n/a K
Ki
31.1±1.8 nM
Comments
IC50=20300 +/- 1400 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:
BDBM19246
Synonyms:
(2S)-3-(2-chloro-4-isothiocyanatophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | arylisothiocyanato derivative, S-30
Type:
Small organic molecule
Emp. Form.:
C18H13ClF3N3O5S
Mol. Mass.:
475.826
SMILES:
C[C@](O)(COc1ccc(cc1Cl)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:
Search PDB for entries with ligand similarity: