Reaction Details Report a problem with these data
Target
Retinoic acid receptor RXR-alpha
Ligand
BDBM50218489
Substrate
n/a
Meas. Tech.
ChEMBL_448791 (CHEMBL897937)
IC50
5200±n/a nM
Citation
Sakaki, J; Konishi, K; Kishida, M; Gunji, H; Kanazawa, T; Uchiyama, H; Fukaya, H; Mitani, H; Kimura, M Synthesis and structure-activity relationship of RXR antagonists based on the diazepinylbenzoic acid structure. Bioorg Med Chem Lett 17:4808-11 (2007) [PubMed] Article
More Info.:
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:
BDBM50218489
Synonyms:
4-[5,7,7,10,10-pentamethyl-2-(3-propyl-ureido)-7,8,9,10-tetrahydro-5H-5,13-diaza-benzo[4,5]cyclohepta[1,2-b]naphthalen-12-yl]-benzoic acid | CHEMBL393524
Type:
Small organic molecule
Emp. Form.:
C33H38N4O3
Mol. Mass.:
538.6798
SMILES:
CCCNC(=O)Nc1ccc2N(C)c3cc4c(cc3C(=Nc2c1)c1ccc(cc1)C(O)=O)C(C)(C)CCC4(C)C |c:20|