Ki Summary

Reaction Details

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Target

Androgen receptor

Ligand

BDBM50356990

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_788156 (CHEMBL1919237)

IC50

30±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 Chem54:7693-704 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Androgen receptor

Name:

Androgen receptor

Synonyms:

Type:

Receptor

Mol. Mass.:

99185.27

Organism:

Homo sapiens (Human)

Description:

CHO cells were stably transfected with human AR gene.

Residue:

920

Sequence:

MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPPGASLLLLQQQ
QQQQQQQQQQQQQQQQQQQQETSPRQQQQQQGEDGSPQAHRRGPTGYLVLDEEQQPSQPQ
SALECHPERGCVPEPGAAVAASKGLPQQLPAPPDEDDSAAPSTLSLLGPTFPGLSSCSAD
LKDILSEASTMQLLQQQQQEAVSEGSSSGRAREASGAPTSSKDNYLGGTSTISDNAKELC
KAVSVSMGLGVEALEHLSPGEQLRGDCMYAPLLGVPPAVRPTPCAPLAECKGSLLDDSAG
KSTEDTAEYSPFKGGYTKGLEGESLGCSGSAAAGSSGTLELPSTLSLYKSGALDEAAAYQ
SRDYYNFPLALAGPPPPPPPPHPHARIKLENPLDYGSAWAAAAAQCRYGDLASLHGAGAA
GPGSGSPSAAASSSWHTLFTAEEGQLYGPCGGGGGGGGGGGGGGGGGGGGGGGEAGAVAP
YGYTRPPQGLAGQESDFTAPDVWYPGGMVSRVPYPSPTCVKSEMGPWMDSYSGPYGDMRL
ETARDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRN
DCTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGEASSTTSPTEETTQKL
TVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWA
KALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSR
MYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELD
RIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEII
SVQVPKILSGKVKPIYFHTQ

BDBM50356990

n/a

Name

BDBM50356990

Synonyms:

CHEMBL1916246

Type

Small organic molecule

Emp. Form.

C19H21ClN4O3

Mol. Mass.

388.848

SMILES

Cc1nnc(o1)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,(2.34,-36.66,;.8,-36.67,;-.09,-37.93,;-1.56,-37.47,;-1.58,-35.94,;-.12,-35.44,;-2.93,-35.19,;-4.25,-35.99,;-2.96,-33.65,;-4.31,-32.91,;-5.85,-32.91,;-6.26,-34.39,;-7.35,-33.3,;-5.85,-31.37,;-7.18,-30.59,;-7.17,-29.05,;-8.5,-28.29,;-8.51,-26.75,;-7.17,-25.98,;-7.16,-24.44,;-7.15,-22.91,;-5.83,-26.75,;-4.5,-25.99,;-5.84,-28.29,;-4.31,-31.37,;-3.92,-29.87,;-2.83,-31.76,)|

Structure