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Target
Androgen receptor
Ligand
BDBM50205118
Substrate
n/a
Meas. Tech.
ChEMBL_438312 (CHEMBL887414)
EC50
>10000±n/a nM
Citation
 Hamann, LG; Manfredi, MC; Sun, C; Krystek, SR; Huang, Y; Bi, Y; Augeri, DJ; Wang, T; Zou, Y; Betebenner, DA; Fura, A; Seethala, R; Golla, R; Kuhns, JE; Lupisella, JA; Darienzo, CJ; Custer, LL; Price, JL; Johnson, JM; Biller, SA; Zahler, R; Ostrowski, J Tandem optimization of target activity and elimination of mutagenic potential in a potent series of N-aryl bicyclic hydantoin-based selective androgen receptor modulators. Bioorg Med Chem Lett 17:1860-4 (2007) [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:
BDBM50205118
Synonyms:
CHEMBL230594 | methyl 6-cyano-3-((7R,7aS)-7-hydroxy-1,3-dioxo-tetrahydro-1H-pyrrolo[1,2-e]imidazol-2(3H)-yl)-2-methylbenzoate
Type:
Small organic molecule
Emp. Form.:
C16H15N3O5
Mol. Mass.:
329.3074
SMILES:
COC(=O)c1c(C)c(ccc1C#N)-n1c(O)c2[C@H](O)CCn2c1=O |wU:17.18,(23.96,-42.91,;23.2,-41.57,;23.98,-40.24,;25.52,-40.26,;23.22,-38.9,;21.68,-38.88,;20.9,-40.21,;20.92,-37.55,;21.69,-36.22,;23.23,-36.22,;24,-37.57,;25.54,-37.57,;27.08,-37.58,;19.38,-37.54,;18.49,-36.29,;18.97,-34.83,;17.02,-36.76,;15.56,-36.27,;15.09,-34.8,;14.64,-37.52,;15.55,-38.76,;17.01,-38.3,;18.47,-38.78,;18.94,-40.25,)|
Structure:
Search PDB for entries with ligand similarity: