Reaction Details Report a problem with these data
Target
Androgen receptor [W742C]
Ligand
BDBM245167
Substrate
n/a
Meas. Tech.
Transactivation Assay
Temperature
310.15±n/a K
IC50
30±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 [W742C]
Synonyms:
ANDR_HUMAN | AR | Androgen receptor (W742C) | DHTR | NR3C4
Type:
Enzyme
Mol. Mass.:
99102.20
Organism:
Homo sapiens (Human)
Description:
Entry Version 159, Sequence Version 2 (P10275)
Residue:
920
Sequence:
MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPPGASLLLLQQQQQQQQQQQQQQQQQQQQQQQETSPRQQQQQQGEDGSPQAHRRGPTGYLVLDEEQQPSQPQSALECHPERGCVPEPGAAVAASKGLPQQLPAPPDEDDSAAPSTLSLLGPTFPGLSSCSADLKDILSEASTMQLLQQQQQEAVSEGSSSGRAREASGAPTSSKDNYLGGTSTISDNAKELCKAVSVSMGLGVEALEHLSPGEQLRGDCMYAPLLGVPPAVRPTPCAPLAECKGSLLDDSAGKSTEDTAEYSPFKGGYTKGLEGESLGCSGSAAAGSSGTLELPSTLSLYKSGALDEAAAYQSRDYYNFPLALAGPPPPPPPPHPHARIKLENPLDYGSAWAAAAAQCRYGDLASLHGAGAAGPGSGSPSAAASSSWHTLFTAEEGQLYGPCGGGGGGGGGGGGGGGGGGGGGGGEAGAVAPYGYTRPPQGLAGQESDFTAPDVWYPGGMVSRVPYPSPTCVKSEMGPWMDSYSGPYGDMRLETARDHVLPIDYYFPPQKTCLICGDEASGCHYGALTCGSCKVFFKRAAEGKQKYLCASRNDCTIDKFRRKNCPSCRLRKCYEAGMTLGARKLKKLGNLKLQEEGEASSTTSPTEETTQKLTVSHIEGYECQPIFLNVLEAIEPGVVCAGHDNNQPDSFAALLSSLNELGERQLVHVVKWAKALPGFRNLHVDDQMAVIQYSCMGLMVFAMGWRSFTNVNSRMLYFAPDLVFNEYRMHKSRMYSQCVRMRHLSQEFGWLQITPQEFLCMKALLLFSIIPVDGLKNQKFFDELRMNYIKELDRIIACKRKNPTSCSRRFYQLTKLLDSVQPIARELHQFTFDLLIKSHMVSVDFPEMMAEIISVQVPKILSGKVKPIYFHTQ
  
Inhibitor
Name:
BDBM245167
Synonyms:
US9428460, 23
Type:
Small organic molecule
Emp. Form.:
C23H20FN3O2
Mol. Mass.:
389.4222
SMILES:
Fc1cccc(c1)C(=O)N[C@H]1CC[C@@H](CC1)Oc1ccnc2c(cccc12)C#N |r,wU:13.17,wD:10.10,(5.33,8.47,;5.33,6.93,;6.67,6.16,;6.67,4.62,;5.33,3.85,;4,4.62,;4,6.16,;2.67,3.85,;1.33,4.62,;2.67,2.31,;1.33,1.54,;,2.31,;-1.33,1.54,;-1.33,,;,-.77,;1.33,,;-2.67,-.77,;-2.67,-2.31,;-1.33,-3.08,;-1.33,-4.62,;-2.67,-5.39,;-4,-4.62,;-5.33,-5.39,;-6.67,-4.62,;-6.67,-3.08,;-5.33,-2.31,;-4,-3.08,;-5.33,-6.93,;-5.33,-8.47,)|
Structure:
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