Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50187238
Substrate
n/a
Meas. Tech.
ChEMBL_356357 (CHEMBL867524)
IC50
>1000±n/a nM
Citation
 Jain, N; Kanojia, RM; Xu, J; Jian-Zhong, G; Pacia, E; Lai, MT; Du, F; Musto, A; Allan, G; Hahn, D; Lundeen, S; Sui, Z Novel chromene-derived selective estrogen receptor modulators useful for alleviating hot flushes and vaginal dryness. J Med Chem 49:3056-9 (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:
BDBM50187238
Synonyms:
2,2-dimethyl-propionic acid (S)-8-(2,2-dimethyl-propionyloxy)-11-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-5,11-dihydro-chromeno[4,3-c]chromen-2-yl ester | CHEMBL381489
Type:
Small organic molecule
Emp. Form.:
C39H45NO7
Mol. Mass.:
639.7771
SMILES:
CC(C)(C)C(=O)Oc1ccc2C3=C(COc2c1)c1ccc(OC(=O)C(C)(C)C)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1 |c:11|
Structure:
Search PDB for entries with ligand similarity: