Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM50257265
Substrate
n/a
Meas. Tech.
ChEBML_1689751
EC50
0.140000±n/a nM
Citation
 Unwalla, R; Mousseau, JJ; Fadeyi, OO; Choi, C; Parris, K; Hu, B; Kenney, T; Chippari, S; McNally, C; Vishwanathan, K; Kilbourne, E; Thompson, C; Nagpal, S; Wrobel, J; Yudt, M; Morris, CA; Powell, D; Gilbert, AM; Chekler, ELP Structure-Based Approach To Identify 5-[4-Hydroxyphenyl]pyrrole-2-carbonitrile Derivatives as Potent and Tissue Selective Androgen Receptor Modulators. J Med Chem 60:6451-6457 (2017) [PubMed]  Article 
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:
BDBM50257265
Synonyms:
CHEMBL4095364
Type:
Small organic molecule
Emp. Form.:
C12H8F2N2O
Mol. Mass.:
234.2015
SMILES:
Cn1c(ccc1-c1c(F)cc(O)cc1F)C#N |(9.8,-30.9,;9.75,-29.36,;8.48,-28.5,;8.91,-27.02,;10.45,-26.97,;10.97,-28.42,;12.44,-28.84,;13.55,-27.78,;13.18,-26.29,;15.03,-28.2,;15.4,-29.71,;16.88,-30.13,;14.29,-30.77,;12.81,-30.34,;11.7,-31.41,;7.02,-29.02,;5.57,-29.54,)|
Structure:
Search PDB for entries with ligand similarity: