Reaction Details Report a problem with these data
Target
Retinoic acid receptor RXR-alpha
Ligand
BDBM50133116
Substrate
n/a
Meas. Tech.
ChEMBL_196897 (CHEMBL807181)
Ki
1.9±n/a nM
Citation
 Michellys, PY; Ardecky, RJ; Chen, JH; D'Arrigo, J; Grese, TA; Karanewsky, DS; Leibowitz, MD; Liu, S; Mais, DA; Mapes, CM; Montrose-Rafizadeh, C; Ogilvie, KM; Reifel-Miller, A; Rungta, D; Thompson, AW; Tyhonas, JS; Boehm, MF Design, synthesis, and structure-activity relationship studies of novel 6,7-locked-[7-(2-alkoxy-3,5-dialkylbenzene)-3-methylocta]-2,4,6-trienoic acids. J Med Chem 46:4087-103 (2003) [PubMed]  Article 
Target
Name:
Retinoic acid receptor RXR-alpha
Synonyms:
NR2B Channel Blocker | Nr2b1 | RXRA_RAT | Retinoic acid receptor RXR-alpha | Retinoid X receptor alpha | Rxra
Type:
Enzyme Catalytic Domain
Mol. Mass.:
51273.78
Organism:
RAT
Description:
NR2B Channel Blocker 0 RAT::Q05343
Residue:
467
Sequence:
MDTKHFLPLDFSTQVNSSSLSSPTGRGSMAAPSLHPSLGPGLGSPLGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFETGSPQLNSPMNPVSSSEDIKPPLGLNGVLKVPAHPSGNMSSFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVEKILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQTT
  
Inhibitor
Name:
BDBM50133116
Synonyms:
(2E,4E)-5-{3-[3,5-Di-tert-butyl-2-(3,3-difluoro-propoxy)-phenyl]-thiophen-2-yl}-3-methyl-penta-2,4-dienoic acid | CHEMBL335762
Type:
Small organic molecule
Emp. Form.:
C27H34F2O3S
Mol. Mass.:
476.619
SMILES:
C\C(\C=C\c1sccc1-c1cc(cc(c1OCCC(F)F)C(C)(C)C)C(C)(C)C)=C/C(O)=O
Structure:
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