Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50118991
Substrate
n/a
Meas. Tech.
ChEBML_67835
IC50
64000±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:
BDBM50118991
Synonyms:
(6-Hydroxy-3-naphthalen-1-yl-benzofuran-2-yl)-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-methanone | CHEMBL99308
Type:
Small organic molecule
Emp. Form.:
C32H29NO4
Mol. Mass.:
491.577
SMILES:
Oc1ccc2c(c(oc2c1)C(=O)c1ccc(OCCN2CCCCC2)cc1)-c1cccc2ccccc12 |(-1.08,-2.25,;.27,-1.48,;.27,.06,;1.6,.83,;2.95,.06,;4.4,.55,;5.32,-.71,;4.4,-1.95,;2.95,-1.48,;1.6,-2.25,;6.86,-.71,;7.63,.63,;7.63,-2.04,;9.17,-2.03,;9.94,-3.35,;9.17,-4.71,;9.95,-6.04,;9.17,-7.37,;9.95,-8.71,;9.17,-10.05,;9.96,-11.39,;9.17,-12.73,;7.62,-12.74,;6.85,-11.39,;7.62,-10.05,;7.62,-4.71,;6.85,-3.37,;4.89,2.01,;6.39,2.33,;6.87,3.8,;5.85,4.95,;4.33,4.61,;3.3,5.74,;1.8,5.42,;1.33,3.94,;2.36,2.82,;3.86,3.15,)|
Structure:
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