Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM50257263
Substrate
n/a
Meas. Tech.
ChEMBL_1689751 (CHEMBL4040321)
IC50
67±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
More Info.:
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:
BDBM50257263
Synonyms:
CHEMBL4104046
Type:
Small organic molecule
Emp. Form.:
C13H8FN3O
Mol. Mass.:
241.2205
SMILES:
Cn1c(ccc1-c1c(F)cc(O)cc1C#N)C#N |(32.18,-19.02,;32.14,-17.48,;30.86,-16.62,;31.29,-15.14,;32.83,-15.09,;33.36,-16.54,;34.83,-16.96,;35.94,-15.9,;35.57,-14.4,;37.42,-16.33,;37.79,-17.83,;39.27,-18.26,;36.67,-18.9,;35.2,-18.46,;34.09,-19.53,;32.97,-20.6,;29.4,-17.14,;27.95,-17.66,)|