Reaction Details Report a problem with these data
Target
Retinoic acid receptor RXR-beta
Ligand
BDBM50508797
Substrate
n/a
Meas. Tech.
ChEMBL_1834360 (CHEMBL4334368)
EC50
5300±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:
BDBM50508797
Synonyms:
CHEMBL4514278
Type:
Small organic molecule
Emp. Form.:
C18H19ClO3
Mol. Mass.:
318.795
SMILES:
CC(C)(C)c1ccc(OCc2ccc(cc2)C(O)=O)c(Cl)c1
Structure:
Search PDB for entries with ligand similarity: