Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM50157825
Substrate
n/a
Meas. Tech.
ChEMBL_317562 (CHEMBL825228)
Ki
2±n/a nM
Citation
Salvati, ME; Balog, A; Shan, W; Wei, DD; Pickering, D; Attar, RM; Geng, J; Rizzo, CA; Gottardis, MM; Weinmann, R; Krystek, SR; Sack, J; An, Y; Kish, K Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists. Bioorg Med Chem Lett 15:271-6 (2004) [PubMed] Article
More Info.:
Target
Name:
Androgen receptor
Synonyms:
ANDR_HUMAN | AR | Androgen Receptor | Androgen receptor (AR) | Androgen receptor/Baculoviral IAP repeat-containing protein 2 | DHTR | Dihydrotestosterone receptor | NR3C4 | Nuclear receptor subfamily 3 group C member 4
Type:
Receptor
Mol. Mass.:
99185.27
Organism:
Human
Description:
CHO cells were stably transfected with human AR gene.
Residue:
920
Sequence:
MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPPGASLLLLQQQQQQQQQQQQQQQQQQQQQQQETSPRQQQQQQGEDGSPQAHRRGPTGYLVLDEEQQPSQPQSALECHPERGCVPEPGAAVAASKGLPQQLPAPPDEDDSAAPSTLSLLGPTFPGLSSCSADLKDILSEASTMQLLQQQQQEAVSEGSSSGRAREASGAPTSSKDNYLGGTSTISDNAKELCKAVSVSMGLGVEALEHLSPGEQLRGDCMYAPLLGVPPAVRPTPCAPLAECKGSLLDDSAGKSTEDTAEYSPFKGGYTKGLEGESLGCSGSAAAGSSGTLELPSTLSLYKSGALDEAAAYQSRDYYNFPLALAGPPPPPPPPHPHARIKLENPLDYGSAWAAAAAQCRYGDLASLHGAGAAGPGSGSPSAAASSSWHTLFTAEEGQLYGPCGGGGGGGGGGGGGGGGGGGGGGGEAGAVAPYGYTRPPQGLAGQESDFTAPDVWYPGGMVSRVPYPSPTCVKSEMGPWMDSYSGPYGDMRLETARDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRNDCTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGEASSTTSPTEETTQKLTVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ
Inhibitor
Name:
BDBM50157825
Synonyms:
(2R,6S)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione | (2R,6S)-4-[4-nitro-3-(trifluoromethyl)phenyl]-4-azatricyclo[5.2.1.0~2,6~]decane-3,5-dione | (2S,6R)-4-(4-Nitro-3-trifluoromethyl-phenyl)-4-aza-tricyclo[5.2.1.0*2,6*]decane-3,5-dione | CHEMBL178333
Type:
Small organic molecule
Emp. Form.:
C16H13F3N2O4
Mol. Mass.:
354.2806
SMILES:
Oc1c2C3CCC(C3)c2c(O)n1-c1ccc(c(c1)C(F)(F)F)[N+]([O-])=O |TLB:9:8:7:4.5,THB:1:2:7:4.5|