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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Nuclear receptor subfamily 1 group I member 2' and Ligand = 'BDBM50317581'   
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
Nuclear receptor subfamily 1 group I member 2


(Homo sapiens (Human))
BDBM50317581
PNG
(4-(6-(2,4-difluorophenyl)-2-oxo-2H-quinolizin-1-yl...)
Show SMILES NC(=O)c1cc(F)c(c(F)c1)-c1c2cccc(-c3ccc(F)cc3F)n2ccc1=O |(11.61,-11.1,;10.28,-11.88,;8.94,-11.11,;10.28,-13.42,;11.62,-14.19,;11.62,-15.73,;12.95,-16.5,;10.28,-16.5,;8.95,-15.73,;7.62,-16.51,;8.94,-14.2,;10.28,-18.04,;11.61,-18.82,;12.93,-18.05,;14.26,-18.81,;14.26,-20.35,;12.93,-21.12,;12.93,-22.66,;11.59,-23.43,;11.59,-24.97,;12.93,-25.74,;12.93,-27.28,;14.27,-24.96,;14.26,-23.43,;15.59,-22.65,;11.61,-20.35,;10.28,-21.12,;8.95,-20.36,;8.95,-18.82,;7.61,-18.05,)|
Show InChI InChI=1S/C22H12F4N2O2/c23-12-4-5-13(14(24)10-12)17-2-1-3-18-21(19(29)6-7-28(17)18)20-15(25)8-11(22(27)30)9-16(20)26/h1-10H,(H2,27,30)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Activation of PXR


Bioorg Med Chem Lett 20: 2765-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.069
BindingDB Entry DOI: 10.7270/Q23T9HCC
More data for this
Ligand-Target Pair