Reaction Details Report a problem with these data
Target
Retinoic acid receptor RXR-alpha
Ligand
BDBM50052961
Substrate
n/a
Meas. Tech.
ChEMBL_196782 (CHEMBL799567)
EC50
770±n/a nM
Citation
 Beard, RL; Colon, DF; Song, TK; Davies, PJ; Kochhar, DM; Chandraratna, RA Synthesis and structure-activity relationships of retinoid X receptor selective diaryl sulfide analogs of retinoic acid. J Med Chem 39:3556-63 (1996) [PubMed]  Article 
Target
Name:
Retinoic acid receptor RXR-alpha
Synonyms:
NR2B1 | Nuclear receptor subfamily 2 group B member 1 | Nuclear receptor subfamily 4 group A member 2 | Nuclear receptor subfamily 4 group A member 2/Retinoic acid receptor RXR-alpha | RXRA | RXRA_HUMAN | Retinoic acid receptor RXR-alpha/gamma | Retinoid X receptor alpha | Retinoid receptor
Type:
PROTEIN
Mol. Mass.:
50820.38
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1456363
Residue:
462
Sequence:
MDTKHFLPLDFSTQVNSSLTSPTGRGSMAAPSLHPSLGPGIGSPGQLHSPISTLSSPINGMGPPFSVISSPMGPHSMSVPTTPTLGFSTGSPQLSSPMNPVSSSEDIKPPLGLNGVLKVPAHPSGNMASFTKHICAICGDRSSGKHYGVYSCEGCKGFFKRTVRKDLTYTCRDNKDCLIDKRQRNRCQYCRYQKCLAMGMKREAVQEERQRGKDRNENEVESTSSANEDMPVERILEAELAVEPKTETYVEANMGLNPSSPNDPVTNICQAADKQLFTLVEWAKRIPHFSELPLDDQVILLRAGWNELLIASFSHRSIAVKDGILLATGLHVHRNSAHSAGVGAIFDRVLTELVSKMRDMQMDKTELGCLRAIVLFNPDSKGLSNPAEVEALREKVYASLEAYCKHKYPEQPGRFAKLLLRLPALRSIGLKCLEHLFFFKLIGDTPIDTFLMEMLEAPHQMT
  
Inhibitor
Name:
BDBM50052961
Synonyms:
4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-ylsulfanyl)-benzoic acid | CHEMBL119781
Type:
Small organic molecule
Emp. Form.:
C21H24O2S
Mol. Mass.:
340.479
SMILES:
CC1(C)CCC(C)(C)c2cc(Sc3ccc(cc3)C(O)=O)ccc12
Structure:
Search PDB for entries with ligand similarity: