Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-beta' and Ligand = 'BDBM50101445'
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50101445((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1
Affinity DataKd:  3.60nMAssay Description:Inhibition of [3H]-9-cis-retinoic acid binding to baculovirus expressed retinoic acid receptor RXR-betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Allergan Inc

Curated by ChEMBL
LigandPNGBDBM50101445((2E,4E)-3-Methyl-5-[(1S,2S)-2-methyl-2-(5,5,8,8-te...)
Show SMILES C\C(\C=C\[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
Show InChI InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+/t18-,24-/m1/s1
Affinity DataEC50:  0.800nMAssay Description:Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR betaMore data for this Ligand-Target Pair