Reaction Details Report a problem with these data
Target
Retinoic acid receptor alpha
Ligand
BDBM50066904
Substrate
n/a
Meas. Tech.
ChEMBL_197392 (CHEMBL799711)
EC50
1100±n/a nM
Citation
 Benbrook, DM; Subramanian, S; Gale, JB; Liu, S; Brown, CW; Boehm, MF; Berlin, KD Synthesis and characterization of heteroarotinoids demonstrate structure specificity relationships. J Med Chem 41:3753-7 (1998) [PubMed]  Article 
Target
Name:
Retinoic acid receptor alpha
Synonyms:
NR1B1 | Nuclear receptor subfamily 1 group B member 1 | RAR-alpha | RARA | RARA_HUMAN | Retinoic acid receptor alpha | Retinoic acid receptor alpha/Retinoid X receptor alpha | Retinoid X receptor gamma/retinoic acid receptor alpha | Retinoid receptor
Type:
PROTEIN
Mol. Mass.:
50778.87
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1466191
Residue:
462
Sequence:
MASNSSSCPTPGGGHLNGYPVPPYAFFFPPMLGGLSPPGALTTLQHQLPVSGYSTPSPATIETQSSSSEEIVPSPPSPPPLPRIYKPCFVCQDKSSGYHYGVSACEGCKGFFRRSIQKNMVYTCHRDKNCIINKVTRNRCQYCRLQKCFEVGMSKESVRNDRNKKKKEVPKPECSESYTLTPEVGELIEKVRKAHQETFPALCQLGKYTTNNSSEQRVSLDIDLWDKFSELSTKCIIKTVEFAKQLPGFTTLTIADQITLLKAACLDILILRICTRYTPEQDTMTFSDGLTLNRTQMHNAGFGPLTDLVFAFANQLLPLEMDDAETGLLSAICLICGDRQDLEQPDRVDMLQEPLLEALKVYVRKRRPSRPHMFPKMLMKITDLRSISAKGAERVITLKMEIPGSMPPLIQEMLENSEGLDTLSGQPGGGGRDGGGLAPPPGSCSPSLSPSSNRSSPATHSP
  
Inhibitor
Name:
BDBM50066904
Synonyms:
4-[(E)-2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-benzoic acid methyl ester | 4-[2-(4,4-Dimethyl-chroman-6-yl)-propenyl]-benzoic acid methyl ester | CHEMBL34464
Type:
Small organic molecule
Emp. Form.:
C22H24O3
Mol. Mass.:
336.4242
SMILES:
COC(=O)c1ccc(\C=C(/C)c2ccc3OCCC(C)(C)c3c2)cc1
Structure:
Search PDB for entries with ligand similarity: