Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-beta' and Ligand = 'BDBM50141603'
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50141603((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
Affinity DataKi:  261nMAssay Description:Displacement of [3H]-9-cis-RA from Retinoic X receptor betaMore data for this Ligand-Target Pair
TargetRetinoic acid receptor RXR-beta(Mus musculus)
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50141603((E)-3-{7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H28F2O4/c1-14(2)18-10-20(15(3)4)26(31-13-23(27)28)21(11-18)19-8-6-7-17-12-22(32-25(17)19)16(5)9-24(29)30/h6-12,14-15,23H,13H2,1-5H3,(H,29,30)/b16-9+
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.More data for this Ligand-Target Pair