Reaction Details  Report a problem with these data
Target
Retinoic acid receptor RXR-beta
Ligand
BDBM50508821
Substrate
n/a
Meas. Tech.
ChEMBL_1834360 (CHEMBL4334368)
EC50
>30000±n/a nM
Citation
 Heitel, P; Gellrich, L; Kalinowsky, L; Heering, J; Kaiser, A; Ohrndorf, J; Proschak, E; Merk, D Computer-Assisted Discovery and Structural Optimization of a Novel Retinoid X Receptor Agonist Chemotype. ACS Med Chem Lett 10:203-208 (2019) [PubMed]  Article
Target
Name:
Retinoic acid receptor RXR-beta
Synonyms:
NR2B2 | Nuclear receptor subfamily 2 group B member 2 | RXRB | RXRB_HUMAN | Retinoic acid receptor RXR-beta | Retinoid X receptor beta | Retinoid receptor
Type:
PROTEIN
Mol. Mass.:
56932.89
Organism:
Homo sapiens (Human)
Description:
ChEMBL_39045
Residue:
533
Sequence:
MSWAARPPFLPQRHAAGQCGPVGVRKEMHCGVASRWRRRRPWLDPAAAAAAAVAGGEQQTPEPEPGEAGRDGMGDSGRDSRSPDSSSPNPLPQGVPPPSPPGPPLPPSTAPSLGGSGAPPPPPMPPPPLGSPFPVISSSMGSPGLPPPAPPGFSGPVSSPQINSTVSLPGGGSGPPEDVKPPVLGVRGLHCPPPPGGPGAGKRLCAICGDRSSGKHYGVYSCEGCKGFFKRTIRKDLTYSCRDNKDCTVDKRQRNRCQYCRYQKCLATGMKREAVQEERQRGKDKDGDGEGAGGAPEEMPVDRILEAELAVEQKSDQGVEGPGGTGGSGSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSSLPLDDQVILLRAGWNELLIASFSHRSIDVRDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMRMDKTELGCLRAIILFNPDAKGLSNPSEVEVLREKVYASLETYCKQKYPEQQGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQLA
  
Inhibitor
Name:
BDBM50508821
Synonyms:
CHEMBL4443020
Type:
Small organic molecule
Emp. Form.:
C14H12O3
Mol. Mass.:
228.2433
SMILES:
OC(=O)c1ccc(COc2ccccc2)cc1
Structure:
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