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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-gamma' and Ligand = 'BDBM50141594'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Retinoic acid receptor RXR-gamma


(Homo sapiens (Human))
BDBM50141594
PNG
((E)-3-{7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethox...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H27F3O4/c1-14(2)18-10-20(15(3)4)25(32-13-26(27,28)29)21(11-18)19-8-6-7-17-12-22(33-24(17)19)16(5)9-23(30)31/h6-12,14-15H,13H2,1-5H3,(H,30,31)/b16-9+
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Article
PubMed
334n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Displacement of [3H]-9-cis-RA from retinoic X receptor gamma


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair
Retinoic acid receptor RXR-gamma


(Mus musculus)
BDBM50141594
PNG
((E)-3-{7-[3,5-Diisopropyl-2-(2,2,2-trifluoro-ethox...)
Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)(F)F)c(c1)-c1cccc2cc(oc12)C(\C)=C\C(O)=O
Show InChI InChI=1S/C26H27F3O4/c1-14(2)18-10-20(15(3)4)25(32-13-26(27,28)29)21(11-18)19-8-6-7-17-12-22(33-24(17)19)16(5)9-23(30)31/h6-12,14-15H,13H2,1-5H3,(H,30,31)/b16-9+
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PC cid
PC sid
UniChem

Patents


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Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Ligand Pharmaceuticals Inc

Curated by ChEMBL


Assay Description
Binding affinity against retinoic acid receptor gamma by [3H]-ATRA displacement.


Bioorg Med Chem Lett 14: 1593-8 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.089
BindingDB Entry DOI: 10.7270/Q2B857JF
More data for this
Ligand-Target Pair