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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 = 'BDBM50212268'   
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))
BDBM50212268
PNG
(3-(3-(5-ethyl-4-oxo-2,3,4,5-tetrahydro-1H-cyclopen...)
Show SMILES CCn1c2ccc(cc2c2CCCc2c1=O)-c1cc(\C=C\C(O)=O)ccc1OC(F)(F)F
Show InChI InChI=1S/C24H20F3NO4/c1-2-28-20-9-8-15(13-19(20)16-4-3-5-17(16)23(28)31)18-12-14(7-11-22(29)30)6-10-21(18)32-24(25,26)27/h6-13H,2-5H2,1H3,(H,29,30)/b11-7+
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MMDB

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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a 96.6n/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