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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Retinoic acid receptor RXR-alpha/alpha' and Ligand = 'BDBM50178960'   
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-alpha/alpha


(Homo sapiens (Human))
BDBM50178960
PNG
(CHEMBL3813702)
Show SMILES CC(C)(C)c1cc(cc(c1)C(C)(C)C)-c1cc(nn1-c1ccc(cc1)C(=O)N1CCOCC1)-c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C35H39N3O4/c1-34(2,3)27-19-26(20-28(21-27)35(4,5)6)31-22-30(23-7-9-25(10-8-23)33(40)41)36-38(31)29-13-11-24(12-14-29)32(39)37-15-17-42-18-16-37/h7-14,19-22H,15-18H2,1-6H3,(H,40,41)
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Similars

Article
PubMed
>1.70E+3n/an/an/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Displacement of [3H]-TTNPB from RARalpha/RXRalpha (unknown origin) expressed in baculovirus expression system by scintillation proximity assay


Bioorg Med Chem Lett 26: 3274-3277 (2016)


Article DOI: 10.1016/j.bmcl.2016.05.056
BindingDB Entry DOI: 10.7270/Q2FF3V9N
More data for this
Ligand-Target Pair