Compile Data Set for Download or QSAR
Found 2 Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-beta' and Ligand = 'BDBM50141600'
TargetRetinoic acid receptor RXR-beta(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50141600((Z)-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(/F)C(O)=O
Show InChI InChI=1S/C26H27F3O4/c1-13(2)17-9-19(14(3)4)25(32-12-22(27)28)20(10-17)18-8-6-7-16-11-21(33-24(16)18)15(5)23(29)26(30)31/h6-11,13-14,22H,12H2,1-5H3,(H,30,31)/b23-15-
Affinity DataKi:  4nMAssay 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
LigandPNGBDBM50141600((Z)-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(/F)C(O)=O
Show InChI InChI=1S/C26H27F3O4/c1-13(2)17-9-19(14(3)4)25(32-12-22(27)28)20(10-17)18-8-6-7-16-11-21(33-24(16)18)15(5)23(29)26(30)31/h6-11,13-14,22H,12H2,1-5H3,(H,30,31)/b23-15-
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity again retinoic acid receptor beta by [3H]-ATRA displacement.More data for this Ligand-Target Pair