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Target
Estrogen receptor beta
Ligand
BDBM50119000
Substrate
n/a
Meas. Tech.
ChEBML_67835
IC50
22000±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:
BDBM50119000
Synonyms:
(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-(6-hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-methanone | CHEMBL329312
Type:
Small organic molecule
Emp. Form.:
C27H18O5
Mol. Mass.:
422.4288
SMILES:
Oc1ccc2c(c(oc2c1)C(=O)c1ccc2OCCOc2c1)-c1cccc2ccccc12 |(-3.42,-6.75,;-2.09,-5.98,;-2.09,-4.44,;-.76,-3.67,;.59,-4.44,;2.04,-3.95,;2.95,-5.21,;2.04,-6.45,;.59,-5.98,;-.76,-6.75,;4.49,-5.21,;5.26,-3.86,;5.26,-6.54,;4.49,-7.87,;5.26,-9.2,;6.8,-9.2,;7.57,-10.53,;9.11,-10.53,;9.88,-9.18,;9.11,-7.85,;7.57,-7.85,;6.8,-6.52,;2.53,-2.48,;4.02,-2.18,;4.51,-.71,;3.48,.44,;1.97,.11,;.94,1.23,;-.55,.91,;-1.02,-.57,;.01,-1.69,;1.5,-1.36,)|
Structure:
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