Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM245164
Substrate
n/a
Meas. Tech.
Transactivation Assay
Temperature
310.15±n/a K
IC50
690±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
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:
BDBM245164
Synonyms:
US9428460, 20
Type:
Small organic molecule
Emp. Form.:
C21H22BrN3O3
Mol. Mass.:
444.322
SMILES:
Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12 |r,wU:13.17,wD:10.10,(8.62,2.31,;7.08,2.31,;6.18,3.56,;4.71,3.08,;4.71,1.54,;6.18,1.06,;3.38,3.85,;3.38,5.39,;2.05,3.08,;.71,3.85,;-.62,3.08,;-1.95,3.85,;-3.29,3.08,;-3.29,1.54,;-1.95,.77,;-.62,1.54,;-4.62,.77,;-4.62,-.77,;-3.29,-1.54,;-3.29,-3.08,;-4.62,-3.85,;-5.96,-3.08,;-7.29,-3.85,;-7.29,-5.39,;-8.62,-3.08,;-8.62,-1.54,;-7.29,-.77,;-5.96,-1.54,)|
Structure:
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