Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM245148
Substrate
n/a
Meas. Tech.
Transactivation Assay
Temperature
310.15±n/a K
IC50
210±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:
BDBM245148
Synonyms:
US9428460, 4
Type:
Small organic molecule
Emp. Form.:
C21H22FN3O3
Mol. Mass.:
383.4161
SMILES:
Cc1nocc1C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(F)cccc12 |r,wU:13.17,wD:10.10,(7.72,4.89,;6.95,3.56,;7.85,2.31,;6.95,1.06,;5.48,1.54,;5.48,3.08,;4.15,3.85,;4.15,5.39,;2.82,3.08,;1.48,3.85,;.15,3.08,;-1.18,3.85,;-2.52,3.08,;-2.52,1.54,;-1.18,.77,;.15,1.54,;-3.85,.77,;-3.85,-.77,;-2.52,-1.54,;-2.52,-3.08,;-3.85,-3.85,;-5.19,-3.08,;-6.52,-3.85,;-6.52,-5.39,;-7.85,-3.08,;-7.85,-1.54,;-6.52,-.77,;-5.19,-1.54,)|
Structure:
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