Ki Summary

Reaction Details

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Target

Estrogen receptor beta

Ligand

BDBM50149495

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_304572 (CHEMBL831070)

IC50

52±n/a nM

Citation

Blizzard, TA; DiNinno, F; Morgan, JD; Chen, HY; Wu, JY; Gude, C; Kim, S; Chan, W; Birzin, ET; Tien Yang, Y; Pai, LY; Zhang, Z; Hayes, EC; DaSilva, CA; Tang, W; Rohrer, SP; Schaeffer, JM; Hammond, ML Estrogen receptor ligands. Part 7: Dihydrobenzoxathiin SERAMs with bicyclic amine side chains. Bioorg Med Chem Lett14:3861-4 (2004) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Estrogen receptor beta

Name:

Estrogen receptor beta

Synonyms:

Type:

Protein

Mol. Mass.:

59238.43

Organism:

Homo sapiens (Human)

Description:

Q92731

Residue:

530

Sequence:

MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPS
NVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVN
RETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGH
NDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLH
CAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTK
LADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDL
VLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDA
DSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMK
CKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ

BDBM50149495

n/a

Name

BDBM50149495

Synonyms:

(2S,3R)-2-{4-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-ethoxy]-phenyl}-3-(4-hydroxy-phenyl)-2,3-dihydro-benzo[1,4]oxathiin-6-ol | CHEMBL361056

Type

Small organic molecule

Emp. Form.

C29H31NO4S

Mol. Mass.

489.626

SMILES

Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2O[C@H]1c1ccc(OCCN2CC3CCC2CC3)cc1 |wD:7.7,17.20,(2.33,3.78,;.99,3,;1.01,1.46,;-.33,.7,;-1.64,1.46,;-1.66,2.98,;-.35,3.76,;-2.98,.7,;-4.32,1.46,;-5.66,.67,;-6.97,1.43,;-8.31,.67,;-9.65,1.43,;-8.31,-.87,;-6.97,-1.63,;-5.63,-.87,;-4.32,-1.63,;-2.98,-.87,;-1.64,-1.63,;-.33,-.84,;1.01,-1.63,;1.01,-3.14,;2.35,-3.9,;3.68,-3.14,;3.68,-1.6,;5.07,-.79,;5.85,.55,;7.67,1.46,;9.38,.53,;8.56,-.73,;6.81,.23,;6.75,1.71,;7.59,2.65,;-.32,-3.93,;-1.64,-3.17,)|

Structure