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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' and Ligand = 'BDBM50212276'   
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


(Homo sapiens (Human))
BDBM50212276
PNG
(3-(3-(4-ethyl-2,2,7-trimethyl-3-oxo-3,4-dihydro-2H...)
Show SMILES CCN1C(=O)C(C)(C)Oc2cc(C)c(cc12)-c1cc(\C=C\C(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C23H22F3NO5/c1-5-27-17-12-15(13(2)10-19(17)31-22(3,4)21(27)30)16-11-14(7-9-20(28)29)6-8-18(16)32-23(24,25)26/h6-12H,5H2,1-4H3,(H,28,29)/b9-7+
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Article
PubMed
n/an/an/an/a 173n/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Activity at RXRalpha by GAL4DNA cotransfection assay


Bioorg Med Chem Lett 17: 3497-503 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.047
BindingDB Entry DOI: 10.7270/Q2FQ9W93
More data for this
Ligand-Target Pair