Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM50154055
Substrate
n/a
Meas. Tech.
ChEMBL_306408 (CHEMBL828749)
IC50
3.1±n/a nM
Citation
Malamas, MS; Manas, ES; McDevitt, RE; Gunawan, I; Xu, ZB; Collini, MD; Miller, CP; Dinh, T; Henderson, RA; Keith, JC; Harris, HA Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands. J Med Chem 47:5021-40 (2004) [PubMed] Article
More Info.:
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:
BDBM50154055
Synonyms:
2-(3-FLUORO-4-HYDROXYPHENYL)-7-VINYL-1,3-BENZOXAZOL-5-OL | 2-(3-Fluoro-4-hydroxy-phenyl)-7-vinyl-benzooxazol-5-ol | 2-(3-fluoro-4-hydroxyphenyl)-7-vinylbenzo[d]oxazol-5-ol | CHEMBL450940
Type:
Small organic molecule
Emp. Form.:
C15H10FNO3
Mol. Mass.:
271.2432
SMILES:
Oc1cc(C=C)c2oc(nc2c1)-c1ccc(O)c(F)c1