Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM245172
Substrate
n/a
Meas. Tech.
Transactivation Assay
Temperature
310.15±n/a K
IC50
45±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:
BDBM245172
Synonyms:
US9428460, 28
Type:
Small organic molecule
Emp. Form.:
C24H22FN3O2
Mol. Mass.:
403.4488
SMILES:
Cc1ccc(cc1F)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:14.18,wD:11.11,(7.34,6.93,;6,6.16,;6,4.62,;4.67,3.85,;3.33,4.62,;3.33,6.16,;4.67,6.93,;4.67,8.47,;2,3.85,;.67,4.62,;2,2.31,;.67,1.54,;-.67,2.31,;-2,1.54,;-2,,;-.67,-.77,;.67,,;-3.33,-.77,;-3.33,-2.31,;-2,-3.08,;-2,-4.62,;-3.33,-5.39,;-4.67,-4.62,;-6,-5.39,;-7.34,-4.62,;-7.34,-3.08,;-6,-2.31,;-4.67,-3.08,;-6,-6.93,;-6,-8.47,)|
Structure:
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