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Target
Estrogen receptor
Ligand
BDBM50419934
Substrate
n/a
Meas. Tech.
ChEMBL_808084 (CHEMBL1961192)
IC50
3630.78±n/a nM
Citation
 Tilley, AJ; Zanatta, SD; Qin, CX; Kim, IK; Seok, YM; Stewart, A; Woodman, OL; Williams, SJ 2-Morpholinoisoflav-3-enes as flexible intermediates in the synthesis of phenoxodiol, isophenoxodiol, equol and analogues: vasorelaxant properties, estrogen receptor binding and Rho/RhoA kinase pathway inhibition. Bioorg Med Chem 20:2353-61 (2012) [PubMed]  Article 
Target
Name:
Estrogen receptor
Synonyms:
ESR1_RAT | Esr | Esr1 | Estr | Nr3a1 | estrogen alpha
Type:
Enzyme Catalytic Domain
Mol. Mass.:
67045.89
Organism:
RAT
Description:
estrogen alpha 0 RAT::P06211
Residue:
600
Sequence:
MTMTLHTKASGMALLHQIQGNELEPLNRPQLKMPMERALGEVYVDNSKPAVFNYPEGAAYEFNAAAAAAAAGASAPVYGQSSITYGPGSEAAAFGANSLGAFPQLNSVSPSPLMLLHPPPHVSPFLHPHGHQVPYYLENEPSAYAVRDTGPPAFYRSNSDNRRQNGRERLSSSSEKGNMIMESAKETRYCAVCNDYASGYHYGVWSCEGCKAFFKRSIQGHNDYMCPATNQCTIDKNRRKSCQACRLRKCYEVGMMKGGIRKDRRGGRMLKHKRQRDDLEGRNEMGTSGDMRAANLWPSPLVIKHTKKNSPALSLTADQMVSALLDAEPPLIYSEYDPSRPFSEASMMGLLTNLADRELVHMINWAKRVPGFGDLNLHDQVHLLECAWLEILMIGLVWRSMEHPGKLLFAPNLLLDRNQGKCVEGMVEIFDMLLATSSRFRMMNLQGEEFVCLKSIILLNSGVYTFLSSTLKSLEEKDHIHRVLDKINDTLIHLMAKAGLTLQQQHRRLAQLLLILSHIRHMSNKGMEHLYNMKCKNVVPLYDLLLEMLDAHRLHAPASRMGVPPEEPSQSQLTTTSSTSAHSLQTYYIPPEAEGFPNTI
  
Inhibitor
Name:
BDBM50419934
Synonyms:
CHEMBL1957041
Type:
Small organic molecule
Emp. Form.:
C15H14O2
Mol. Mass.:
226.2705
SMILES:
Oc1ccc2CC(COc2c1)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: