Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM245166
Substrate
n/a
Meas. Tech.
Transactivation Assay
Temperature
310.15±n/a K
IC50
330±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:
BDBM245166
Synonyms:
US9428460, 22
Type:
Small organic molecule
Emp. Form.:
C24H23N3O2
Mol. Mass.:
385.4583
SMILES:
O=C(NC[C@H]1CC[C@@H](CC1)Oc1ccnc2ccccc12)c1ccc(cc1)C#N |r,wU:7.10,wD:4.3,(2.67,4.62,;2.67,3.08,;1.33,2.31,;,3.08,;-1.33,2.31,;-2.67,3.08,;-4,2.31,;-4,.77,;-2.67,,;-1.33,.77,;-5.33,,;-5.33,-1.54,;-4,-2.31,;-4,-3.85,;-5.33,-4.62,;-6.67,-3.85,;-8,-4.62,;-9.34,-3.85,;-9.34,-2.31,;-8,-1.54,;-6.67,-2.31,;4,2.31,;4,.77,;5.33,,;6.72,.74,;6.67,2.31,;5.33,3.08,;8.05,-.03,;9.38,-.8,)|
Structure:
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