Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50185849
Substrate
n/a
Meas. Tech.
ChEMBL_371967 (CHEMBL852960)
IC50
129±n/a nM
Citation
 Wilkening, RR; Ratcliffe, RW; Tynebor, EC; Wildonger, KJ; Fried, AK; Hammond, ML; Mosley, RT; Fitzgerald, PM; Sharma, N; McKeever, BM; Nilsson, S; Carlquist, M; Thorsell, A; Locco, L; Katz, R; Frisch, K; Birzin, ET; Wilkinson, HA; Mitra, S; Cai, S; Hayes, EC; Schaeffer, JM; Rohrer, SP The discovery of tetrahydrofluorenones as a new class of estrogen receptor beta-subtype selective ligands. Bioorg Med Chem Lett 16:3489-94 (2006) [PubMed]  Article 
Target
Name:
Estrogen receptor
Synonyms:
ER | ER-alpha | ESR | ESR1 | ESR1_HUMAN | Estradiol receptor | Estrogen receptor | Estrogen receptor (ER alpha) | Estrogen receptor (ER-alpha) | Estrogen receptor alpha (ER alpha) | Estrogen receptor alpha (ER) | NR3A1 | Nuclear receptor subfamily 3 group A member 1
Type:
Protein
Mol. Mass.:
66230.44
Organism:
Homo sapiens (Human)
Description:
P03372
Residue:
595
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKIPLERPLGEVYLDSSKPAVYNYPEGAAYEFNAAAAANAQVYGQTGLPYGPGSEAAAFGSNGLGGFPPLNSVSPSPLMLLHPPPQLSPFLQPHGQQVPYYLENEPSGYTVREAGPPAFYRPNSDNRRQGGRERLASTNDKGSMAMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDGEGRGEVGSAGDMRAANLWPSPLMIKRSKKNSLALSLTADQMVSALLDAEPPILYSEYDPTRPFSEASMMGLLTNLADRELVHMINWAKRVPGFVDLTLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKITDTLIHLMAKAGLTLQQQHQRLAQLLLILSHIRHMSNKGMEHLYSMKCKNVVPLYDLLLEMLDAHRLHAPTSRGGASVEETDQSHLATAGSTSSHSLQKYYITGEAEGFPATV
  
Inhibitor
Name:
BDBM50185849
Synonyms:
(9aS)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydro-3H-fluoren-3-one | (S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one | CHEMBL211614
Type:
Small organic molecule
Emp. Form.:
C17H19BrO2
Mol. Mass.:
335.236
SMILES:
CCCC[C@]12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2 |t:15|
Structure:
Search PDB for entries with ligand similarity: