Reaction Details Report a problem with these data
Target
Estrogen receptor
Ligand
BDBM50118996
Substrate
n/a
Meas. Tech.
ChEBML_67839
IC50
7300±n/a nM
Citation
 Smith, RA; Chen, J; Mader, MM; Muegge, I; Moehler, U; Katti, S; Marrero, D; Stirtan, WG; Weaver, DR; Xiao, H; Carley, W Solid-phase synthesis and investigation of benzofurans as selective estrogen receptor modulators. Bioorg Med Chem Lett 12:2875-8 (2002) [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:
BDBM50118996
Synonyms:
(6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-[3-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone | CHEMBL316730
Type:
Small organic molecule
Emp. Form.:
C32H29NO4
Mol. Mass.:
491.577
SMILES:
Oc1ccc2c(c(oc2c1)C(=O)c1cccc(OCCN2CCCCC2)c1)-c1cccc2ccccc12 |(-6.44,-12.74,;-5.11,-11.97,;-5.11,-10.43,;-3.78,-9.66,;-2.44,-10.43,;-.98,-9.94,;-.07,-11.2,;-.98,-12.44,;-2.44,-11.97,;-3.78,-12.74,;1.47,-11.2,;2.24,-9.85,;2.24,-12.53,;1.47,-13.86,;2.24,-15.19,;3.78,-15.19,;4.55,-13.84,;6.09,-13.84,;6.86,-15.17,;8.4,-15.17,;9.18,-16.5,;10.72,-16.47,;11.5,-17.81,;10.74,-19.16,;9.2,-19.16,;8.41,-17.83,;3.78,-12.51,;-.51,-8.48,;1,-8.17,;1.48,-6.7,;.45,-5.55,;-1.07,-5.89,;-2.09,-4.76,;-3.59,-5.09,;-4.04,-6.56,;-3.01,-7.68,;-1.53,-7.35,)|
Structure:
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