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Target
Estrogen receptor
Ligand
BDBM50016934
Substrate
n/a
Meas. Tech.
ChEMBL_1358461 (CHEMBL3281629)
Kd
3000±n/a nM
Citation
 El Masry, AH; Braun, VC; Nielsen, CJ; Pratt, WB Synthesis and biological action of two glucocorticoid alkylating agents. J Med Chem 20:1134-9 (1978) [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:
BDBM50016934
Synonyms:
CHEBI:82520 | ESTRADIOL MUSTARD
Type:
Small organic molecule
Emp. Form.:
C42H50Cl4N2O4
Mol. Mass.:
788.669
SMILES:
[H][C@@]12CC[C@H](OC(=O)Cc3ccc(cc3)N(CCCl)CCCl)[C@@]1(C)CC[C@]1([H])c3ccc(OC(=O)Cc4ccc(cc4)N(CCCl)CCCl)cc3CC[C@@]21[H] |r|
Structure:
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