Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50119002
Substrate
n/a
Meas. Tech.
ChEBML_67835
IC50
300±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 beta
Synonyms:
ESR2_RAT | Erbeta | Esr2 | Estrogen receptor | Estrogen receptor beta | Nr3a2
Type:
PROTEIN
Mol. Mass.:
59173.80
Organism:
Rattus norvegicus
Description:
ChEMBL_803011
Residue:
530
Sequence:
MEIKNSPSSLSSPASYNCSQSILPLEHGPIYIPSSYVDNRHEYSAMTFYSPAVMNYSVPGSTSNLDGGPVRLSTSPNVLWPTSGHLSPLATHCQSSLLYAEPQKSPWCEARSLEHTLPVNRETLKRKLSGSSCASPVTSPNAKRDAHFCPVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRIVRRQRSSSEQVHCLSKAKRNGGHAPRVKELLLSTLSPEQLVLTLLEAEPPNVLVSRPSMPFTEASMMMSLTKLADKELVHMIGWAKKIPGFVELSLLDQVRLLESCWMEVLMVGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLASANQEAESSRKLTHLLNAVTDALVWVIAKSGISSQQQSVRLANLLMLLSHVRHISNKGMEHLLSMKCKNVVPVYDLLLEMLNAHTLRGYKSSISGSECSSTEDSKNKESSQNLQSQ
  
Inhibitor
Name:
BDBM50119002
Synonyms:
(4-Fluoro-phenyl)-(6-hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-methanone | CHEMBL95883
Type:
Small organic molecule
Emp. Form.:
C25H15FO3
Mol. Mass.:
382.3832
SMILES:
Oc1ccc2c(c(oc2c1)C(=O)c1ccc(F)cc1)-c1cccc2ccccc12 |(1.85,-3.76,;3.18,-2.99,;3.18,-1.45,;4.51,-.68,;5.86,-1.45,;7.31,-.96,;8.22,-2.22,;7.31,-3.46,;5.86,-2.99,;4.51,-3.76,;9.76,-2.22,;10.53,-.87,;10.53,-3.55,;9.76,-4.88,;10.53,-6.21,;12.07,-6.21,;12.84,-7.54,;12.84,-4.86,;12.07,-3.53,;7.79,.51,;9.29,.82,;9.78,2.28,;8.75,3.42,;7.23,3.1,;6.21,4.24,;4.7,3.91,;4.23,2.44,;5.27,1.31,;6.77,1.63,)|
Structure:
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