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Compile Data Set for Download or QSAR

Found 242 hits Enz. Inhib. hit(s) with Target = 'Hepatocyte nuclear factor 4-alpha' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM87845
PNG
(2-Butyl-thiazolidine-4-carboxylic acid | 2-butyl-1...)
Show SMILES CCCCC1NC(CS1)C(O)=O
Show InChI InChI=1S/C8H15NO2S/c1-2-3-4-7-9-6(5-12-7)8(10)11/h6-7,9H,2-5H2,1H3,(H,10,11)
PDB
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n/an/a 814n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94560
PNG
(MLS003674207 | N-cyclohexyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES O=C(NC1CCCCC1)C(c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C26H25N3O3/c30-25(27-19-12-5-2-6-13-19)24(18-10-3-1-4-11-18)29-21-15-8-7-14-20(21)28-23(26(29)31)22-16-9-17-32-22/h1,3-4,7-11,14-17,19,24H,2,5-6,12-13H2,(H,27,30)
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n/an/a 817n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94538
PNG
(2-[phenyl(1-piperidinyl)methyl]-1-naphthalenol | 2...)
Show SMILES Oc1c(ccc2ccccc12)C(N1CCCCC1)c1ccccc1
Show InChI InChI=1S/C22H23NO/c24-22-19-12-6-5-9-17(19)13-14-20(22)21(18-10-3-1-4-11-18)23-15-7-2-8-16-23/h1,3-6,9-14,21,24H,2,7-8,15-16H2
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n/an/a 828n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94561
PNG
(2-(2-fluorophenyl)-2-[3-(2-furanyl)-2-oxo-1-quinox...)
Show SMILES CCCCCNC(=O)C(c1ccccc1F)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H24FN3O3/c1-2-3-8-15-27-24(30)23(17-10-4-5-11-18(17)26)29-20-13-7-6-12-19(20)28-22(25(29)31)21-14-9-16-32-21/h4-7,9-14,16,23H,2-3,8,15H2,1H3,(H,27,30)
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n/an/a 970n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94585
PNG
(2-(4-cyanophenyl)-2-[3-(2-furanyl)-2-oxo-1-quinoxa...)
Show SMILES O=C(NCc1ccccc1)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C28H20N4O3/c29-17-19-12-14-21(15-13-19)26(27(33)30-18-20-7-2-1-3-8-20)32-23-10-5-4-9-22(23)31-25(28(32)34)24-11-6-16-35-24/h1-16,26H,18H2,(H,30,33)
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n/an/a 1.30E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94617
PNG
(MLS003674193 | N-(2,6-dimethylphenyl)-2-[3-(2-fura...)
Show SMILES Cc1cccc(C)c1NC(=O)C(c1ccc(cc1)-c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C34H27N3O3/c1-22-10-8-11-23(2)30(22)36-33(38)32(26-19-17-25(18-20-26)24-12-4-3-5-13-24)37-28-15-7-6-14-27(28)35-31(34(37)39)29-16-9-21-40-29/h3-21,32H,1-2H3,(H,36,38)
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n/an/a 1.34E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM80725
PNG
(2,3-bis(p-tolylthio)-1,4-naphthoquinone | 2,3-bis[...)
Show SMILES Cc1ccc(SC2=C(Sc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C24H18O2S2/c1-15-7-11-17(12-8-15)27-23-21(25)19-5-3-4-6-20(19)22(26)24(23)28-18-13-9-16(2)10-14-18/h3-14H,1-2H3
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n/an/a 1.38E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94517
PNG
(MLS003674218 | N-tert-butyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES CC(C)(C)NC(=O)C(c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C24H23N3O3/c1-24(2,3)26-22(28)21(16-10-5-4-6-11-16)27-18-13-8-7-12-17(18)25-20(23(27)29)19-14-9-15-30-19/h4-15,21H,1-3H3,(H,26,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM50470
PNG
(2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-...)
Show SMILES Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)c1
Show InChI InChI=1S/C20H16N4O3S/c1-13-5-2-6-14(11-13)21-17(25)12-28-20-22-18(15-7-3-9-26-15)19(23-24-20)16-8-4-10-27-16/h2-11H,12H2,1H3,(H,21,25)
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n/an/a 1.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94591
PNG
(MLS003674222 | N-tert-butyl-2-(4-cyanophenyl)-2-[3...)
Show SMILES CC(C)(C)NC(=O)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H22N4O3/c1-25(2,3)28-23(30)22(17-12-10-16(15-26)11-13-17)29-19-8-5-4-7-18(19)27-21(24(29)31)20-9-6-14-32-20/h4-14,22H,1-3H3,(H,28,30)
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n/an/a 1.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94514
PNG
(MLS003674206 | N-cyclohexyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES O=C(NC1CCCCC1)C(c1cccc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C30H27N3O3/c34-29(31-21-12-2-1-3-13-21)28(23-15-8-11-20-10-4-5-14-22(20)23)33-25-17-7-6-16-24(25)32-27(30(33)35)26-18-9-19-36-26/h4-11,14-19,21,28H,1-3,12-13H2,(H,31,34)
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n/an/a 1.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM43422
PNG
((E)-2-cyano-3-[3-[(E)-2-cyano-3-(2-methoxyethylami...)
Show SMILES COCCNC(=O)C(=C\c1cccc(\C=C(/C#N)C(=O)NCCOC)c1)\C#N
Show InChI InChI=1S/C20H22N4O4/c1-27-8-6-23-19(25)17(13-21)11-15-4-3-5-16(10-15)12-18(14-22)20(26)24-7-9-28-2/h3-5,10-12H,6-9H2,1-2H3,(H,23,25)(H,24,26)/b17-11+,18-12+
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n/an/a 1.51E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM72328
PNG
((Z)-3-(4-chlorophenyl)-2-(4-keto-5,6-dimethyl-3H-t...)
Show SMILES CCOC(=O)C(=Cc1ccc(Cl)cc1)c1nc2sc(C)c(C)c2c(=O)[nH]1
Show InChI InChI=1S/C19H17ClN2O3S/c1-4-25-19(24)14(9-12-5-7-13(20)8-6-12)16-21-17(23)15-10(2)11(3)26-18(15)22-16/h5-9H,4H2,1-3H3,(H,21,22,23)/b14-9-
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n/an/a 1.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM83788
PNG
((5Z)-1-benzyl-5-[(E)-3-(2-furyl)prop-2-enylidene]b...)
Show SMILES O=C1NC(=O)\C(=C\C=C\c2ccco2)C(=O)N1Cc1ccccc1
Show InChI InChI=1S/C18H14N2O4/c21-16-15(10-4-8-14-9-5-11-24-14)17(22)20(18(23)19-16)12-13-6-2-1-3-7-13/h1-11H,12H2,(H,19,21,23)/b8-4+,15-10-
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n/an/a 1.59E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM40594
PNG
(2-[[5,6-bis(2-furanyl)-1,2,4-triazin-3-yl]thio]-N-...)
Show SMILES Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)c(n2)-c2ccco2)cc1
Show InChI InChI=1S/C20H16N4O3S/c1-13-6-8-14(9-7-13)21-17(25)12-28-20-22-18(15-4-2-10-26-15)19(23-24-20)16-5-3-11-27-16/h2-11H,12H2,1H3,(H,21,25)
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94579
PNG
(MLS003674219 | N-tert-butyl-2-cyclopropyl-2-[3-(2-...)
Show SMILES CC(C)(C)NC(=O)C(C1CC1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C21H23N3O3/c1-21(2,3)23-19(25)18(13-10-11-13)24-15-8-5-4-7-14(15)22-17(20(24)26)16-9-6-12-27-16/h4-9,12-13,18H,10-11H2,1-3H3,(H,23,25)
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n/an/a 1.72E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94629
PNG
(MLS003674203 | N-cyclohexyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES COc1ccc(cc1)C(C(=O)NC1CCCCC1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C27H27N3O4/c1-33-20-15-13-18(14-16-20)25(26(31)28-19-8-3-2-4-9-19)30-22-11-6-5-10-21(22)29-24(27(30)32)23-12-7-17-34-23/h5-7,10-17,19,25H,2-4,8-9H2,1H3,(H,28,31)
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n/an/a 1.75E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94558
PNG
(MLS003674213 | N-tert-butyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES COc1ccc(cc1)C(C(=O)NC(C)(C)C)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H25N3O4/c1-25(2,3)27-23(29)22(16-11-13-17(31-4)14-12-16)28-19-9-6-5-8-18(19)26-21(24(28)30)20-10-7-15-32-20/h5-15,22H,1-4H3,(H,27,29)
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n/an/a 1.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94549
PNG
(MLS003674221 | N-tert-butyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES CC(C)(C)NC(=O)C(c1ccc(cc1)C(F)(F)F)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C25H22F3N3O3/c1-24(2,3)30-22(32)21(15-10-12-16(13-11-15)25(26,27)28)31-18-8-5-4-7-17(18)29-20(23(31)33)19-9-6-14-34-19/h4-14,21H,1-3H3,(H,30,32)
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n/an/a 1.81E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94506
PNG
(MLS003674209 | N-cyclohexyl-2-(2-fluorophenyl)-2-[...)
Show SMILES Fc1ccccc1C(C(=O)NC1CCCCC1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C26H24FN3O3/c27-19-12-5-4-11-18(19)24(25(31)28-17-9-2-1-3-10-17)30-21-14-7-6-13-20(21)29-23(26(30)32)22-15-8-16-33-22/h4-8,11-17,24H,1-3,9-10H2,(H,28,31)
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n/an/a 1.84E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94627
PNG
(MLS003674220 | N-tert-butyl-2-(2-fluorophenyl)-2-[...)
Show SMILES CC(C)(C)NC(=O)C(c1ccccc1F)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C24H22FN3O3/c1-24(2,3)27-22(29)21(15-9-4-5-10-16(15)25)28-18-12-7-6-11-17(18)26-20(23(28)30)19-13-8-14-31-19/h4-14,21H,1-3H3,(H,27,29)
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n/an/a 1.85E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94534
PNG
(2-(4-cyanophenyl)-N-(2,6-dimethylphenyl)-2-[3-(2-f...)
Show SMILES Cc1cccc(C)c1NC(=O)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C29H22N4O3/c1-18-7-5-8-19(2)25(18)32-28(34)27(21-14-12-20(17-30)13-15-21)33-23-10-4-3-9-22(23)31-26(29(33)35)24-11-6-16-36-24/h3-16,27H,1-2H3,(H,32,34)
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n/an/a 1.86E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94527
PNG
(2-(1-benzofuran-2-yl)-N-tert-butyl-2-[3-(furan-2-y...)
Show SMILES CC(C)(C)NC(=O)C(c1cc2ccccc2o1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C26H23N3O4/c1-26(2,3)28-24(30)23(21-15-16-9-4-7-12-19(16)33-21)29-18-11-6-5-10-17(18)27-22(25(29)31)20-13-8-14-32-20/h4-15,23H,1-3H3,(H,28,30)
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n/an/a 1.86E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94595
PNG
((5Z)-1-(4-fluorobenzyl)-5-[(E)-3-(2-furyl)prop-2-e...)
Show SMILES Fc1ccc(CN2C(=O)NC(=O)\C(=C\C=C\c3ccco3)C2=O)cc1
Show InChI InChI=1S/C18H13FN2O4/c19-13-8-6-12(7-9-13)11-21-17(23)15(16(22)20-18(21)24)5-1-3-14-4-2-10-25-14/h1-10H,11H2,(H,20,22,24)/b3-1+,15-5-
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n/an/a 1.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94633
PNG
(2-[4-(1,3-benzodioxol-5-yl)-2-ethyl-2-methyl-5,6-d...)
Show SMILES CCC1(C)NC(CC(=N1)c1ccc2OCOc2c1)c1ccccc1O
Show InChI InChI=1S/C20H22N2O3/c1-3-20(2)21-15(13-8-9-18-19(10-13)25-12-24-18)11-16(22-20)14-6-4-5-7-17(14)23/h4-10,16,22-23H,3,11-12H2,1-2H3
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n/an/a 1.87E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94589
PNG
((5E)-1-(2-fluorophenyl)-5-[4-[(5-nitro-2-pyridyl)o...)
Show SMILES [O-][N+](=O)c1ccc(Oc2ccc(C=C3C(=O)NC(=O)N(C3=O)c3ccccc3F)cc2)nc1
Show InChI InChI=1S/C22H13FN4O6/c23-17-3-1-2-4-18(17)26-21(29)16(20(28)25-22(26)30)11-13-5-8-15(9-6-13)33-19-10-7-14(12-24-19)27(31)32/h1-12H,(H,25,28,30)
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n/an/a 1.88E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94612
PNG
(MLS003674214 | N-tert-butyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES CC(C)(C)NC(=O)C(c1ccc(cc1)-c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C30H27N3O3/c1-30(2,3)32-28(34)27(22-17-15-21(16-18-22)20-10-5-4-6-11-20)33-24-13-8-7-12-23(24)31-26(29(33)35)25-14-9-19-36-25/h4-19,27H,1-3H3,(H,32,34)
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n/an/a 1.91E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM47853
PNG
(2-furancarboxylic acid [4-bromo-2-[(E)-3-(4-methyl...)
Show SMILES Cc1ccc(\C=C\C(=O)c2cc(Br)ccc2OC(=O)c2ccco2)cc1
Show InChI InChI=1S/C21H15BrO4/c1-14-4-6-15(7-5-14)8-10-18(23)17-13-16(22)9-11-19(17)26-21(24)20-3-2-12-25-20/h2-13H,1H3/b10-8+
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n/an/a 1.96E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94590
PNG
(2-(1-benzofuran-2-yl)-2-[3-(furan-2-yl)-2-oxidanyl...)
Show SMILES CCCCCNC(=O)C(c1cc2ccccc2o1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C27H25N3O4/c1-2-3-8-15-28-26(31)25(23-17-18-10-4-7-13-21(18)34-23)30-20-12-6-5-11-19(20)29-24(27(30)32)22-14-9-16-33-22/h4-7,9-14,16-17,25H,2-3,8,15H2,1H3,(H,28,31)
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n/an/a 2.01E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94545
PNG
(2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-N-(phenylme...)
Show SMILES FC(F)(F)c1ccc(cc1)C(C(=O)NCc1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C28H20F3N3O3/c29-28(30,31)20-14-12-19(13-15-20)25(26(35)32-17-18-7-2-1-3-8-18)34-22-10-5-4-9-21(22)33-24(27(34)36)23-11-6-16-37-23/h1-16,25H,17H2,(H,32,35)
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n/an/a 2.02E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94602
PNG
(MLS003674208 | N-cyclohexyl-2-cyclopropyl-2-[3-(2-...)
Show SMILES O=C(NC1CCCCC1)C(C1CC1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C23H25N3O3/c27-22(24-16-7-2-1-3-8-16)21(15-12-13-15)26-18-10-5-4-9-17(18)25-20(23(26)28)19-11-6-14-29-19/h4-6,9-11,14-16,21H,1-3,7-8,12-13H2,(H,24,27)
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n/an/a 2.17E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94594
PNG
(2-(1-benzofuran-2-yl)-N-cyclohexyl-2-[3-(furan-2-y...)
Show SMILES O=C(NC1CCCCC1)C(c1cc2ccccc2o1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C28H25N3O4/c32-27(29-19-10-2-1-3-11-19)26(24-17-18-9-4-7-14-22(18)35-24)31-21-13-6-5-12-20(21)30-25(28(31)33)23-15-8-16-34-23/h4-9,12-17,19,26H,1-3,10-11H2,(H,29,32)
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n/an/a 2.19E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94584
PNG
(MLS003674205 | N-cyclohexyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES O=C(NC1CCCCC1)C(c1ccnc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C29H26N4O3/c34-28(31-19-9-2-1-3-10-19)27(21-16-17-30-22-12-5-4-11-20(21)22)33-24-14-7-6-13-23(24)32-26(29(33)35)25-15-8-18-36-25/h4-8,11-19,27H,1-3,9-10H2,(H,31,34)
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n/an/a 2.23E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94632
PNG
(2-(2-fluorophenyl)-2-[3-(2-furanyl)-2-oxo-1-quinox...)
Show SMILES Fc1ccccc1C(C(=O)NCc1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C27H20FN3O3/c28-20-12-5-4-11-19(20)25(26(32)29-17-18-9-2-1-3-10-18)31-22-14-7-6-13-21(22)30-24(27(31)33)23-15-8-16-34-23/h1-16,25H,17H2,(H,29,32)
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n/an/a 2.24E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94608
PNG
(2-heptylidene-5-(1-pyrrolidinylmethyl)-1-cyclopent...)
Show SMILES CCCCCCC=C1CCC(CN2CCCC2)C1=O
Show InChI InChI=1S/C17H29NO/c1-2-3-4-5-6-9-15-10-11-16(17(15)19)14-18-12-7-8-13-18/h9,16H,2-8,10-14H2,1H3
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n/an/a 2.25E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM78081
PNG
((E)-6,6,7,7-tetrafluoro-5-hydroxy-1,5-diphenyl-1-h...)
Show SMILES OC(CC(=O)C=Cc1ccccc1)(c1ccccc1)C(F)(F)C(F)F
Show InChI InChI=1S/C19H16F4O2/c20-17(21)19(22,23)18(25,15-9-5-2-6-10-15)13-16(24)12-11-14-7-3-1-4-8-14/h1-12,17,25H,13H2
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n/an/a 2.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94570
PNG
(MLS003674216 | N-tert-butyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES CC(C)(C)NC(=O)C(c1cccc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C28H25N3O3/c1-28(2,3)30-26(32)25(20-13-8-11-18-10-4-5-12-19(18)20)31-22-15-7-6-14-21(22)29-24(27(31)33)23-16-9-17-34-23/h4-17,25H,1-3H3,(H,30,32)
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n/an/a 2.27E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM34962
PNG
(5-hydroxy-4-[[4-(2-hydroxyethyl)-1-piperazinyl]met...)
Show SMILES CCOC(=O)c1c(C)oc2c1c(CN1CCN(CCO)CC1)c(O)c1ccccc21
Show InChI InChI=1S/C23H28N2O5/c1-3-29-23(28)19-15(2)30-22-17-7-5-4-6-16(17)21(27)18(20(19)22)14-25-10-8-24(9-11-25)12-13-26/h4-7,26-27H,3,8-14H2,1-2H3
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n/an/a 2.31E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94615
PNG
(2-(4-cyanophenyl)-N-cyclohexyl-2-[3-(2-furanyl)-2-...)
Show SMILES O=C(NC1CCCCC1)C(c1ccc(cc1)C#N)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C27H24N4O3/c28-17-18-12-14-19(15-13-18)25(26(32)29-20-7-2-1-3-8-20)31-22-10-5-4-9-21(22)30-24(27(31)33)23-11-6-16-34-23/h4-6,9-16,20,25H,1-3,7-8H2,(H,29,32)
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94565
PNG
(MLS003674210 | N-cyclohexyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES FC(F)(F)c1ccc(cc1)C(C(=O)NC1CCCCC1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C27H24F3N3O3/c28-27(29,30)18-14-12-17(13-15-18)24(25(34)31-19-7-2-1-3-8-19)33-21-10-5-4-9-20(21)32-23(26(33)35)22-11-6-16-36-22/h4-6,9-16,19,24H,1-3,7-8H2,(H,31,34)
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n/an/a 2.41E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94562
PNG
(MLS003674192 | N-(2,6-dimethylphenyl)-2-[3-(2-fura...)
Show SMILES COc1ccc(cc1)C(C(=O)Nc1c(C)cccc1C)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C29H25N3O4/c1-18-8-6-9-19(2)25(18)31-28(33)27(20-13-15-21(35-3)16-14-20)32-23-11-5-4-10-22(23)30-26(29(32)34)24-12-7-17-36-24/h4-17,27H,1-3H3,(H,31,33)
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n/an/a 2.42E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94613
PNG
(2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-(4-methox...)
Show SMILES COc1ccc(cc1)C(C(=O)NCc1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C28H23N3O4/c1-34-21-15-13-20(14-16-21)26(27(32)29-18-19-8-3-2-4-9-19)31-23-11-6-5-10-22(23)30-25(28(31)33)24-12-7-17-35-24/h2-17,26H,18H2,1H3,(H,29,32)
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n/an/a 2.46E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94571
PNG
(MLS003674199 | N-(2,6-dimethylphenyl)-2-(2-fluorop...)
Show SMILES Cc1cccc(C)c1NC(=O)C(c1ccccc1F)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C28H22FN3O3/c1-17-9-7-10-18(2)24(17)31-27(33)26(19-11-3-4-12-20(19)29)32-22-14-6-5-13-21(22)30-25(28(32)34)23-15-8-16-35-23/h3-16,26H,1-2H3,(H,31,33)
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n/an/a 2.48E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94587
PNG
(1-[1-(1H-benzimidazol-2-yl)-3-phenyl-propyl]-3-(2-...)
Show SMILES O=c1c(nc2ccccc2n1C(CCc1ccccc1)c1nc2ccccc2[nH]1)-c1ccco1
Show InChI InChI=1S/C28H22N4O2/c33-28-26(25-15-8-18-34-25)29-22-13-6-7-14-23(22)32(28)24(17-16-19-9-2-1-3-10-19)27-30-20-11-4-5-12-21(20)31-27/h1-15,18,24H,16-17H2,(H,30,31)
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n/an/a 2.54E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94637
PNG
(MLS003674200 | N-(2,6-dimethylphenyl)-2-[3-(2-fura...)
Show SMILES Cc1cccc(C)c1NC(=O)C(c1ccc(cc1)C(F)(F)F)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C29H22F3N3O3/c1-17-7-5-8-18(2)24(17)34-27(36)26(19-12-14-20(15-13-19)29(30,31)32)35-22-10-4-3-9-21(22)33-25(28(35)37)23-11-6-16-38-23/h3-16,26H,1-2H3,(H,34,36)
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n/an/a 2.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94529
PNG
(MLS003674195 | N-(2,6-dimethylphenyl)-2-[3-(2-fura...)
Show SMILES Cc1cccc(C)c1NC(=O)C(c1cccc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C32H25N3O3/c1-20-10-7-11-21(2)28(20)34-31(36)30(24-15-8-13-22-12-3-4-14-23(22)24)35-26-17-6-5-16-25(26)33-29(32(35)37)27-18-9-19-38-27/h3-19,30H,1-2H3,(H,34,36)
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n/an/a 2.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM52920
PNG
((5E)-5-[(E)-3-(2-furanyl)prop-2-enylidene]-1-methy...)
Show SMILES CN1C(=S)NC(=O)\C(=C/C=C/c2ccco2)C1=O
Show InChI InChI=1S/C12H10N2O3S/c1-14-11(16)9(10(15)13-12(14)18)6-2-4-8-5-3-7-17-8/h2-7H,1H3,(H,13,15,18)/b4-2+,9-6+
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n/an/a 2.56E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94631
PNG
(4-(2,6-Dimethyl-morpholin-4-ylmethyl)-3-hydroxy-be...)
Show SMILES CC1CN(Cc2c(O)ccc3c4ccccc4c(=O)oc23)CC(C)O1
Show InChI InChI=1S/C20H21NO4/c1-12-9-21(10-13(2)24-12)11-17-18(22)8-7-15-14-5-3-4-6-16(14)20(23)25-19(15)17/h3-8,12-13,22H,9-11H2,1-2H3
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n/an/a 2.68E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94544
PNG
(MLS003674204 | N-cyclohexyl-2-[3-(2-furanyl)-2-oxo...)
Show SMILES O=C(NC1CCCCC1)C(c1ccc(cc1)-c1ccccc1)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C32H29N3O3/c36-31(33-25-12-5-2-6-13-25)30(24-19-17-23(18-20-24)22-10-3-1-4-11-22)35-27-15-8-7-14-26(27)34-29(32(35)37)28-16-9-21-38-28/h1,3-4,7-11,14-21,25,30H,2,5-6,12-13H2,(H,33,36)
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n/an/a 2.74E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
Hepatocyte nuclear factor 4-alpha


(Homo sapiens)
BDBM94575
PNG
(2-[3-(2-furanyl)-2-oxo-1-quinoxalinyl]-2-(1-naphth...)
Show SMILES O=C(NCc1ccccc1)C(c1cccc2ccccc12)n1c2ccccc2nc(-c2ccco2)c1=O
Show InChI InChI=1S/C31H23N3O3/c35-30(32-20-21-10-2-1-3-11-21)29(24-15-8-13-22-12-4-5-14-23(22)24)34-26-17-7-6-16-25(26)33-28(31(34)36)27-18-9-19-37-27/h1-19,29H,20H2,(H,32,35)
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n/an/a 2.78E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2012)

More data for this
Ligand-Target Pair
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