Compile Data Set for Download or QSAR
Found 1 Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor alpha' and Ligand = 'BDBM50141599'
TargetRetinoic acid receptor alpha(Homo sapiens (Human))
Ligand Pharmaceuticals Inc

Curated by ChEMBL
LigandPNGBDBM50141599((E)-3-{4-[3,5-Di-tert-butyl-2-(2,2,2-trifluoro-eth...)
Show SMILES C\C(=C/C(O)=O)c1cc2c(cccc2s1)-c1cc(cc(c1OCC(F)(F)F)C(C)(C)C)C(C)(C)C
Show InChI InChI=1S/C28H31F3O3S/c1-16(11-24(32)33)23-14-19-18(9-8-10-22(19)35-23)20-12-17(26(2,3)4)13-21(27(5,6)7)25(20)34-15-28(29,30)31/h8-14H,15H2,1-7H3,(H,32,33)/b16-11+
Affinity DataKi: >1.00E+4nMAssay Description:Binding affinity against retinoic acid receptor alpha by [3H]-ATRA displacement.More data for this Ligand-Target Pair