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Target
Androgen receptor
Ligand
BDBM50356988
Substrate
n/a
Meas. Tech.
ChEMBL_788156 (CHEMBL1919237)
IC50
20±n/a nM
Citation
 Guo, C; Linton, A; Kephart, S; Ornelas, M; Pairish, M; Gonzalez, J; Greasley, S; Nagata, A; Burke, BJ; Edwards, M; Hosea, N; Kang, P; Hu, W; Engebretsen, J; Briere, D; Shi, M; Gukasyan, H; Richardson, P; Dack, K; Underwood, T; Johnson, P; Morell, A; Felstead, R; Kuruma, H; Matsimoto, H; Zoubeidi, A; Gleave, M; Los, G; Fanjul, AN Discovery of aryloxy tetramethylcyclobutanes as novel androgen receptor antagonists. J Med Chem 54:7693-704 (2011) [PubMed]  Article 
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:
Homo sapiens (Human)
Description:
CHO cells were stably transfected with human AR gene.
Residue:
920
Sequence:
MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPPGASLLLLQQQQQQQQQQQQQQQQQQQQQQQETSPRQQQQQQGEDGSPQAHRRGPTGYLVLDEEQQPSQPQSALECHPERGCVPEPGAAVAASKGLPQQLPAPPDEDDSAAPSTLSLLGPTFPGLSSCSADLKDILSEASTMQLLQQQQQEAVSEGSSSGRAREASGAPTSSKDNYLGGTSTISDNAKELCKAVSVSMGLGVEALEHLSPGEQLRGDCMYAPLLGVPPAVRPTPCAPLAECKGSLLDDSAGKSTEDTAEYSPFKGGYTKGLEGESLGCSGSAAAGSSGTLELPSTLSLYKSGALDEAAAYQSRDYYNFPLALAGPPPPPPPPHPHARIKLENPLDYGSAWAAAAAQCRYGDLASLHGAGAAGPGSGSPSAAASSSWHTLFTAEEGQLYGPCGGGGGGGGGGGGGGGGGGGGGGGEAGAVAPYGYTRPPQGLAGQESDFTAPDVWYPGGMVSRVPYPSPTCVKSEMGPWMDSYSGPYGDMRLETARDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRNDCTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGEASSTTSPTEETTQKLTVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ
  
Inhibitor
Name:
BDBM50356988
Synonyms:
CHEMBL1916245
Type:
Small organic molecule
Emp. Form.:
C20H23ClN4O2
Mol. Mass.:
386.875
SMILES:
Cn1cc(cn1)C(=O)N[C@H]1C(C)(C)[C@H](Oc2ccc(C#N)c(Cl)c2)C1(C)C |r,wU:9.9,wD:13.14,(37.34,-24.69,;35.8,-24.71,;34.88,-23.47,;33.42,-23.97,;33.44,-25.5,;34.91,-25.96,;32.07,-23.22,;30.75,-24.02,;32.04,-21.68,;30.69,-20.94,;29.15,-20.94,;28.74,-22.42,;27.65,-21.33,;29.16,-19.4,;27.82,-18.62,;27.83,-17.08,;26.5,-16.32,;26.5,-14.78,;27.84,-14.01,;27.85,-12.47,;27.85,-10.94,;29.17,-14.79,;30.51,-14.02,;29.16,-16.32,;30.69,-19.4,;31.08,-17.9,;32.17,-19.79,)|
Structure:
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