Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAndrogen receptor (AR)
LigandBDBM245170
Substrate/Competitorn/a
Meas. Tech.Transactivation Assay
Temperature310.15±n/a K
IC50 18±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:
BDBM245170
NameBDBM245170
Synonyms:US9428460, 26
TypeSmall organic molecule
Emp. Form.C21H20N4O3
Mol. Mass.376.4085
SMILESCc1cc(no1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:12.16,wD:9.9,(6.38,8.22,;5.61,6.89,;4.15,6.41,;4.15,4.87,;5.61,4.39,;6.52,5.64,;2.82,4.1,;1.48,4.87,;2.82,2.56,;1.48,1.79,;.15,2.56,;-1.18,1.79,;-1.18,.25,;.15,-.52,;1.48,.25,;-2.52,-.52,;-2.52,-2.06,;-1.18,-2.83,;-1.18,-4.37,;-2.52,-5.14,;-3.85,-4.37,;-5.19,-5.14,;-6.52,-4.37,;-6.52,-2.83,;-5.19,-2.06,;-3.85,-2.83,;-5.19,-6.68,;-5.19,-8.22,)|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a