Reaction Details | |||
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Target | Androgen receptor | ||
Ligand | BDBM50157824 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_302725 (CHEMBL839595) | ||
Ki | 3±n/a nM | ||
Citation | Salvati, ME; Balog, A; Shan, W; Wei, DD; Pickering, D; Attar, RM; Geng, J; Rizzo, CA; Gottardis, MM; Weinmann, R; Krystek, SR; Sack, J; An, Y; Kish, K Structure based approach to the design of bicyclic-1H-isoindole-1,3(2H)-dione based androgen receptor antagonists. Bioorg Med Chem Lett15:271-6 (2004) [PubMed] Article | ||
More Info.: | Get all data from this article, Assay Method | ||
Androgen receptor | |||
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: |
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BDBM50157824 | |||
n/a | |||
Name | BDBM50157824 | ||
Synonyms: | (3a alpha,4beta,8beta,8a alpha)-4,5,6,7,8,8a-hexahydro-4,8-etheno-1H-cyclohepta[c]furan-1,3(3aH)-di-one | CHEMBL367375 | ||
Type | Small organic molecule | ||
Emp. Form. | C21H16N2O4 | ||
Mol. Mass. | 360.3627 | ||
SMILES | Oc1c2C3C=CC([C@@H]4C[C@H]34)c2c(O)n1-c1ccc([N+]([O-])=O)c2ccccc12 |wD:7.7,9.8,c:4,TLB:11:10:7.9:5.4,8:7:2.10:5.4,8:9:2.10:5.4,(.68,2.16,;-.56,1.25,;-2.02,1.72,;-3.49,2.21,;-5.01,1.88,;-5.95,.69,;-4.45,1,;-4.75,2.51,;-5.9,3.54,;-3.99,3.84,;-2.93,.48,;-2.02,-.78,;-2.5,-2.25,;-.56,-.29,;.78,-1.06,;.78,-2.62,;2.11,-3.39,;3.44,-2.62,;4.77,-3.39,;4.77,-4.93,;6.11,-2.62,;3.44,-1.08,;4.77,-.29,;4.77,1.25,;3.43,2.02,;2.1,1.25,;2.11,-.29,)| | ||
Structure |