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TargetAndrogen receptor (AR)
LigandBDBM245149
Substrate/Competitorn/a
Meas. Tech.Transactivation Assay
Temperature310.15±n/a K
IC50 460±n/a nM
Commentsextracted
Citation Nguyen, DKünzer, HFaus Gimenez, HBader, BKöhr, SFritsch, M N-[4-(quinolin-4-yloxy)cyclohexyl(methyl)](hetero)arylcarboxamides as androgen receptor antagonists, production and use thereof as medicinal products US Patent US9428460 Publication Date 8/30/2016
More Info.:Get all data from this article,  Assay Method
 
Androgen receptor (AR)
Name:Androgen receptor (AR)
Synonyms:Androgen receptor
Type:n/a
Mol. Mass.:98986.06
Organism:Homo sapiens (Human)
Description:Entry Version 159, Sequence Version 2 (P10275)
Residue:919
Sequence:
MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPPGASLLLLQQQ
QQQQQQQQQQQQQQQQQQETSPRQQQQQQGEDGSPQAHRRGPTGYLVLDEEQQPSQPQSA
LECHPERGCVPEPGAAVAASKGLPQQLPAPPDEDDSAAPSTLSLLGPTFPGLSSCSADLK
DILSEASTMQLLQQQQQEAVSEGSSSGRAREASGAPTSSKDNYLGGTSTISDNAKELCKA
VSVSMGLGVEALEHLSPGEQLRGDCMYAPLLGVPPAVRPTPCAPLAECKGSLLDDSAGKS
TEDTAEYSPFKGGYTKGLEGESLGCSGSAAAGSSGTLELPSTLSLYKSGALDEAAAYQSR
DYYNFPLALAGPPPPPPPPHPHARIKLENPLDYGSAWAAAAAQCRYGDLASLHGAGAAGP
GSGSPSAAASSSWHTLFTAEEGQLYGPCGGGGGGGGGGGGGGGGGGGGGGGGEAGAVAPY
GYTRPPQGLAGQESDFTAPDVWYPGGMVSRVPYPSPTCVKSEMGPWMDSYSGPYGDMRLE
TARDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRND
CTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGEASSTTSPTEETTQKLT
VSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAK
ALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRM
YSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDR
IIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIIS
VQVPKILSGKVKPIYFHTQ
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM245149
NameBDBM245149
Synonyms:US9428460, 5
TypeSmall organic molecule
Emp. Form.C20H20FN3O3
Mol. Mass.369.3895
SMILESFc1cccc2c(O[C@H]3CC[C@H](CNC(=O)c4ccno4)CC3)ccnc12 |r,wU:8.7,wD:11.11,(-6.52,-5.39,;-6.52,-3.85,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,;-3.85,-.77,;-3.85,.77,;-2.52,1.54,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;.15,1.54,;-1.18,.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
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