Reaction Details Report a problem with these data
Target
Androgen receptor
Ligand
BDBM18175
Substrate
BDBM18161
Meas. Tech.
Receptor Binding and Transactivation Assay
pH
7.4±n/a
Temperature
295.15±n/a K
Ki
2.2±n/a nM
EC50
20±n/a nM
Comments
Compound is full agonist with IA>85% relative to DHT control (IA=100%)
Citation
Li, JJ; Sutton, JC; Nirschl, A; Zou, Y; Wang, H; Sun, C; Pi, Z; Johnson, R; Krystek, SR; Seethala, R; Golla, R; Sleph, PG; Beehler, BC; Grover, GJ; Fura, A; Vyas, VP; Li, CY; Gougoutas, JZ; Galella, MA; Zahler, R; Ostrowski, J; Hamann, LG Discovery of Potent and Muscle Selective Androgen Receptor Modulators through Scaffold Modifications. J Med Chem 50:3015-3025 (2007) [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:
BDBM18175
Synonyms:
4-[(3aR,4R,6aS)-4-hydroxy-1-oxo-octahydrocyclopenta[c]pyrrol-2-yl]-2-chloro-3-methylbenzonitrile | Pyrrolidin-2-one, 9
Type:
Small organic molecule
Emp. Form.:
C15H15ClN2O2
Mol. Mass.:
290.745
SMILES:
[H][C@]12CN(C(=O)[C@@]1([H])CC[C@H]2O)c1ccc(C#N)c(Cl)c1C |r|
Substrate
Name:
BDBM18161
Synonyms:
(1S,2S,7S,10R,11S,14S,15S)-14-hydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-one | (5alpha,17beta)-17-hydroxyandrostan-3-one | CHEMBL27769 | DHT | Dihydrotestosterone | [3H]DHT
Type:
Steroid
Emp. Form.:
C19H30O2
Mol. Mass.:
290.4403
SMILES:
[H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@@]2([H])CC(=O)CC[C@]12C |r|