Reaction Details Report a problem with these data
Target
Estrogen receptor beta
Ligand
BDBM42990
Substrate
n/a
Meas. Tech.
Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay
IC50
25.413395±n/a nM
Citation
 PubChem, PC Estrogen Receptor-beta Coactivator Binding Inhibitors ELISA Secondary Assay PubChem Bioassay (2008)[AID] 
Target
Name:
Estrogen receptor beta
Synonyms:
ER-beta | ESR2 | ESR2_HUMAN | ESTRB | Estradiol receptor beta (ERβ) | Estrogen receptor | Estrogen receptor (ER beta) | Estrogen receptor beta | Estrogen receptor beta (ER beta) | Estrogen receptor beta (ER) | NR3A2 | Nuclear receptor subfamily 3 group A member 2 | estrogen beta
Type:
Protein
Mol. Mass.:
59238.43
Organism:
Homo sapiens (Human)
Description:
Q92731
Residue:
530
Sequence:
MDIKNSPSSLNSPSSYNCSQSILPLEHGSIYIPSSYVDSHHEYPAMTFYSPAVMNYSIPSNVTNLEGGPGRQTTSPNVLWPTPGHLSPLVVHRQLSHLYAEPQKSPWCEARSLEHTLPVNRETLKRKVSGNRCASPVTGPGSKRDAHFCAVCSDYASGYHYGVWSCEGCKAFFKRSIQGHNDYICPATNQCTIDKNRRKSCQACRLRKCYEVGMVKCGSRRERCGYRLVRRQRSADEQLHCAGKAKRSGGHAPRVRELLLDALSPEQLVLTLLEAEPPHVLISRPSAPFTEASMMMSLTKLADKELVHMISWAKKIPGFVELSLFDQVRLLESCWMEVLMMGLMWRSIDHPGKLIFAPDLVLDRDEGKCVEGILEIFDMLLATTSRFRELKLQHKEYLCVKAMILLNSSMYPLVTATQDADSSRKLAHLLNAVTDALVWVIAKSGISSQQQSMRLANLLMLLSHVRHASNKGMEHLLNMKCKNVVPVYDLLLEMLNAHVLRGCKSSITGSECSPAEDSKSKEGSQNPQSQ
  
Inhibitor
Name:
BDBM42990
Synonyms:
2-(benzylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile | 2-(benzylthio)-1-pyrindan-3-carbonitrile | 2-(phenylmethylsulfanyl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile | 2-(phenylmethylthio)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile | 2-benzylsulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile | MLS000547061 | SMR000114226 | cid_681250
Type:
Small organic molecule
Emp. Form.:
C16H14N2S
Mol. Mass.:
266.361
SMILES:
N#Cc1cc2CCCc2nc1SCc1ccccc1
Structure:
Search PDB for entries with ligand similarity: