Reaction Details Report a problem with these data
Target
Androgen receptor [E709Y]
Ligand
BDBM245153
Substrate
n/a
Meas. Tech.
Transactivation Assay
Temperature
310.15±n/a K
IC50
56±n/a nM
Comments
extracted
Citation
 Nguyen, D; Künzer, H; Faus Gimenez, H; Bader, B; Köhr, S; Fritsch, 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 
Target
Name:
Androgen receptor [E709Y]
Synonyms:
ANDR_HUMAN | AR | Androgen receptor (E709Y) | DHTR | NR3C4
Type:
Enzyme
Mol. Mass.:
99220.34
Organism:
Homo sapiens (Human)
Description:
Entry Version 159, Sequence Version 2 (P10275)
Residue:
920
Sequence:
MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPPGASLLLLQQQQQQQQQQQQQQQQQQQQQQQETSPRQQQQQQGEDGSPQAHRRGPTGYLVLDEEQQPSQPQSALECHPERGCVPEPGAAVAASKGLPQQLPAPPDEDDSAAPSTLSLLGPTFPGLSSCSADLKDILSEASTMQLLQQQQQEAVSEGSSSGRAREASGAPTSSKDNYLGGTSTISDNAKELCKAVSVSMGLGVEALEHLSPGEQLRGDCMYAPLLGVPPAVRPTPCAPLAECKGSLLDDSAGKSTEDTAEYSPFKGGYTKGLEGESLGCSGSAAAGSSGTLELPSTLSLYKSGALDEAAAYQSRDYYNFPLALAGPPPPPPPPHPHARIKLENPLDYGSAWAAAAAQCRYGDLASLHGAGAAGPGSGSPSAAASSSWHTLFTAEEGQLYGPCGGGGGGGGGGGGGGGGGGGGGGGEAGAVAPYGYTRPPQGLAGQESDFTAPDVWYPGGMVSRVPYPSPTCVKSEMGPWMDSYSGPYGDMRLETARDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRNDCTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGEASSTTSPTEETTQKLTVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGYRQLVHVVKWAKALPGFRNLHVDDQMAVIQYSWMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ
  
Inhibitor
Name:
BDBM245153
Synonyms:
US9428460, 9
Type:
Small organic molecule
Emp. Form.:
C23H22F2N2O2
Mol. Mass.:
396.4298
SMILES:
Fc1ccc(cc1F)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12 |r,wU:15.19,wD:12.12,(8.67,,;7.34,.77,;6,,;4.67,.77,;4.67,2.31,;6,3.08,;7.34,2.31,;8.67,3.08,;3.33,3.08,;3.33,4.62,;2,2.31,;.67,3.08,;-.67,2.31,;-2,3.08,;-3.33,2.31,;-3.33,.77,;-2,,;-.67,.77,;-4.67,,;-4.67,-1.54,;-3.33,-2.31,;-3.33,-3.85,;-4.67,-4.62,;-6,-3.85,;-7.34,-4.62,;-8.67,-3.85,;-8.67,-2.31,;-7.34,-1.54,;-6,-2.31,)|
Structure:
Search PDB for entries with ligand similarity: