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Compile Data Set for Download or QSAR

Found 155 hits with Last Name = 'liou' and Initial = 'h'   
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
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50248765
PNG
(1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrol...)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCO)c2ncnc(N)c12
Show InChI InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
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Article
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n/an/a 15n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged RSK2 C-terminal domian expressed in Escherichia coli after 30 mins


Nat Chem Biol 3: 156-60 (2007)


Article DOI: 10.1038/nchembio859
BindingDB Entry DOI: 10.7270/Q22B8Z60
More data for this
Ligand-Target Pair
Ribosomal protein S6 kinase alpha-3


(Homo sapiens (Human))
BDBM50324685
PNG
(2-(3-(4-amino-6-(2-fluoroacetyl)-5-p-tolyl-7H-pyrr...)
Show SMILES Cc1ccc(cc1)-c1c(C(=O)CF)n(CCCNCC#N)c2ncnc(N)c12
Show InChI InChI=1S/C20H21FN6O/c1-13-3-5-14(6-4-13)16-17-19(23)25-12-26-20(17)27(18(16)15(28)11-21)10-2-8-24-9-7-22/h3-6,12,24H,2,8-11H2,1H3,(H2,23,25,26)
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n/an/a 20n/an/an/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Inhibition of His6-tagged RSK2 C-terminal domian expressed in Escherichia coli after 30 mins


Nat Chem Biol 3: 156-60 (2007)


Article DOI: 10.1038/nchembio859
BindingDB Entry DOI: 10.7270/Q22B8Z60
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367259
PNG
(US10226464, Compound 27)
Show SMILES Cc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C12H7FN2O3/c1-5-2-9-6(4-8(5)13)3-7-10(16)14-12(17)15-11(7)18-9/h2-4H,1H3,(H,14,16,17)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367271
PNG
(US10226464, Compound 38)
Show SMILES CC(C)COc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1Cl
Show InChI InChI=1S/C15H13ClN2O4/c1-7(2)6-21-12-5-11-8(4-10(12)16)3-9-13(19)17-15(20)18-14(9)22-11/h3-5,7H,6H2,1-2H3,(H,17,19,20)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367263
PNG
(US10226464, Compound 31)
Show SMILES CCCCCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C17H17FN2O4/c1-2-3-4-5-6-23-14-9-13-10(8-12(14)18)7-11-15(21)19-17(22)20-16(11)24-13/h7-9H,2-6H2,1H3,(H,19,21,22)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367265
PNG
(US10226464, Compound 33)
Show SMILES CC(C)CCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C16H15FN2O4/c1-8(2)3-4-22-13-7-12-9(6-11(13)17)5-10-14(20)18-16(21)19-15(10)23-12/h5-8H,3-4H2,1-2H3,(H,18,20,21)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367285
PNG
(US10226464, Compound 52)
Show SMILES CCCCCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1F
Show InChI InChI=1S/C18H19FN2O4/c1-2-3-4-5-6-9-24-13-8-7-11-10-12-16(22)20-18(23)21-17(12)25-15(11)14(13)19/h7-8,10H,2-6,9H2,1H3,(H,20,22,23)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367238
PNG
(US10226464, Compound 8)
Show SMILES COc1ccc2cc3c(nc(=S)[nH]c3=O)oc2c1
Show InChI InChI=1S/C12H8N2O3S/c1-16-7-3-2-6-4-8-10(15)13-12(18)14-11(8)17-9(6)5-7/h2-5H,1H3,(H,13,15,18)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367246
PNG
(US10226464, Compound 15)
Show SMILES COc1ccc2oc3nc(=S)[nH]c(=O)c3cc2c1
Show InChI InChI=1S/C12H8N2O3S/c1-16-7-2-3-9-6(4-7)5-8-10(15)13-12(18)14-11(8)17-9/h2-5H,1H3,(H,13,15,18)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367247
PNG
(US10226464, Compound 16)
Show SMILES Oc1ccc2cc3c(nc(=S)[nH]c3=O)oc2c1
Show InChI InChI=1S/C11H6N2O3S/c14-6-2-1-5-3-7-9(15)12-11(17)13-10(7)16-8(5)4-6/h1-4,14H,(H,12,15,17)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367248
PNG
(US10226464, Compound 17)
Show SMILES Cc1ccc2cc3c(nc(=S)[nH]c3=O)oc2c1
Show InChI InChI=1S/C12H8N2O2S/c1-6-2-3-7-5-8-10(15)13-12(17)14-11(8)16-9(7)4-6/h2-5H,1H3,(H,13,15,17)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367250
PNG
(US10226464, Compound 18)
Show SMILES COc1cc(OC)c2cc3c(nc(=S)[nH]c3=O)oc2c1
Show InChI InChI=1S/C13H10N2O4S/c1-17-6-3-9(18-2)7-5-8-11(16)14-13(20)15-12(8)19-10(7)4-6/h3-5H,1-2H3,(H,14,16,20)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367260
PNG
(US10226464, Compound 28)
Show SMILES CCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C13H9FN2O4/c1-2-19-10-5-9-6(4-8(10)14)3-7-11(17)15-13(18)16-12(7)20-9/h3-5H,2H2,1H3,(H,15,17,18)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367262
PNG
(US10226464, Compound 30)
Show SMILES CCCCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C16H15FN2O4/c1-2-3-4-5-22-13-8-12-9(7-11(13)17)6-10-14(20)18-16(21)19-15(10)23-12/h6-8H,2-5H2,1H3,(H,18,20,21)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367264
PNG
(US10226464, Compound 32)
Show SMILES CCCCCCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C18H19FN2O4/c1-2-3-4-5-6-7-24-15-10-14-11(9-13(15)19)8-12-16(22)20-18(23)21-17(12)25-14/h8-10H,2-7H2,1H3,(H,20,22,23)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367266
PNG
(US10226464, Compound 34)
Show SMILES CC(C)(C)CCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C17H17FN2O4/c1-17(2,3)4-5-23-13-8-12-9(7-11(13)18)6-10-14(21)19-16(22)20-15(10)24-12/h6-8H,4-5H2,1-3H3,(H,19,21,22)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367269
PNG
(US10226464, Compound 36)
Show SMILES CC(C)(C)COc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C16H15FN2O4/c1-16(2,3)7-22-12-6-11-8(5-10(12)17)4-9-13(20)18-15(21)19-14(9)23-11/h4-6H,7H2,1-3H3,(H,18,20,21)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367270
PNG
(US10226464, Compound 37)
Show SMILES CCCCCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1Cl
Show InChI InChI=1S/C17H17ClN2O4/c1-2-3-4-5-6-23-14-9-13-10(8-12(14)18)7-11-15(21)19-17(22)20-16(11)24-13/h7-9H,2-6H2,1H3,(H,19,21,22)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367272
PNG
(US10226464, Compound 39)
Show SMILES CCCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1Cl
Show InChI InChI=1S/C16H15ClN2O4/c1-2-3-4-7-22-11-6-5-9-8-10-14(20)18-16(21)19-15(10)23-13(9)12(11)17/h5-6,8H,2-4,7H2,1H3,(H,18,20,21)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367273
PNG
(US10226464, Compound 40)
Show SMILES CC(C)CCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1Cl
Show InChI InChI=1S/C16H15ClN2O4/c1-8(2)5-6-22-11-4-3-9-7-10-14(20)18-16(21)19-15(10)23-13(9)12(11)17/h3-4,7-8H,5-6H2,1-2H3,(H,18,20,21)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367274
PNG
(US10226464, Compound 41)
Show SMILES CC(C)(C)CCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1Cl
Show InChI InChI=1S/C17H17ClN2O4/c1-17(2,3)6-7-23-11-5-4-9-8-10-14(21)19-16(22)20-15(10)24-13(9)12(11)18/h4-5,8H,6-7H2,1-3H3,(H,19,21,22)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367275
PNG
(US10226464, Compound 42)
Show SMILES CCCCCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1Cl
Show InChI InChI=1S/C18H19ClN2O4/c1-2-3-4-5-6-9-24-13-8-7-11-10-12-16(22)20-18(23)21-17(12)25-15(11)14(13)19/h7-8,10H,2-6,9H2,1H3,(H,20,22,23)
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n/an/a<500n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367276
PNG
(US10226464, Compound 43)
Show SMILES CCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1Cl
Show InChI InChI=1S/C15H13ClN2O4/c1-2-3-6-21-10-5-4-8-7-9-13(19)17-15(20)18-14(9)22-12(8)11(10)16/h4-5,7H,2-3,6H2,1H3,(H,17,19,20)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367277
PNG
(US10226464, Compound 44)
Show SMILES CCCCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1Cl
Show InChI InChI=1S/C17H17ClN2O4/c1-2-3-4-5-8-23-12-7-6-10-9-11-15(21)19-17(22)20-16(11)24-14(10)13(12)18/h6-7,9H,2-5,8H2,1H3,(H,19,21,22)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367278
PNG
(US10226464, Compound 45)
Show SMILES CCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1F
Show InChI InChI=1S/C15H13FN2O4/c1-2-3-6-21-10-5-4-8-7-9-13(19)17-15(20)18-14(9)22-12(8)11(10)16/h4-5,7H,2-3,6H2,1H3,(H,17,19,20)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367279
PNG
(US10226464, Compound 46)
Show SMILES CCCCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1F
Show InChI InChI=1S/C17H17FN2O4/c1-2-3-4-5-8-23-12-7-6-10-9-11-15(21)19-17(22)20-16(11)24-14(10)13(12)18/h6-7,9H,2-5,8H2,1H3,(H,19,21,22)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367281
PNG
(US10226464, Compound 48)
Show SMILES CC(C)COc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1F
Show InChI InChI=1S/C15H13FN2O4/c1-7(2)6-21-10-4-3-8-5-9-13(19)17-15(20)18-14(9)22-12(8)11(10)16/h3-5,7H,6H2,1-2H3,(H,17,19,20)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367261
PNG
(US10226464, Compound 29)
Show SMILES CCCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C15H13FN2O4/c1-2-3-4-21-12-7-11-8(6-10(12)16)5-9-13(19)17-15(20)18-14(9)22-11/h5-7H,2-4H2,1H3,(H,17,19,20)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367255
PNG
(US10226464, Compound 23)
Show SMILES CC(C)COc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1
Show InChI InChI=1S/C15H14N2O4/c1-8(2)7-20-10-4-3-9-5-11-13(18)16-15(19)17-14(11)21-12(9)6-10/h3-6,8H,7H2,1-2H3,(H,16,18,19)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367257
PNG
(US10226464, Compound 25)
Show SMILES CCCc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1Cl
Show InChI InChI=1S/C14H11ClN2O3/c1-2-3-7-6-11-8(5-10(7)15)4-9-12(18)16-14(19)17-13(9)20-11/h4-6H,2-3H2,1H3,(H,16,18,19)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367258
PNG
(US10226464, Compound 26)
Show SMILES CCCCn1c(=O)nc2oc3cc(OCC)c(Cl)cc3cc2c1=O
Show InChI InChI=1S/C17H17ClN2O4/c1-3-5-6-20-16(21)11-7-10-8-12(18)14(23-4-2)9-13(10)24-15(11)19-17(20)22/h7-9H,3-6H2,1-2H3
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367236
PNG
(US10226464, Compound 6)
Show SMILES COc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1
Show InChI InChI=1S/C12H8N2O4/c1-17-7-3-2-6-4-8-10(15)13-12(16)14-11(8)18-9(6)5-7/h2-5H,1H3,(H,13,15,16)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367240
PNG
(US10226464, Compound 10)
Show SMILES COc1ccc2oc3nc(=O)[nH]c(=O)c3cc2c1
Show InChI InChI=1S/C12H8N2O4/c1-17-7-2-3-9-6(4-7)5-8-10(15)13-12(16)14-11(8)18-9/h2-5H,1H3,(H,13,15,16)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367241
PNG
(US10226464, Compound 11)
Show SMILES Oc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1
Show InChI InChI=1S/C11H6N2O4/c14-6-2-1-5-3-7-9(15)12-11(16)13-10(7)17-8(5)4-6/h1-4,14H,(H,12,15,16)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367242
PNG
(US10226464, Compound 12)
Show SMILES Cc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1
Show InChI InChI=1S/C12H8N2O3/c1-6-2-3-7-5-8-10(15)13-12(16)14-11(8)17-9(7)4-6/h2-5H,1H3,(H,13,15,16)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367243
PNG
(US10226464, Compound 13)
Show SMILES CCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1
Show InChI InChI=1S/C13H10N2O4/c1-2-18-8-4-3-7-5-9-11(16)14-13(17)15-12(9)19-10(7)6-8/h3-6H,2H2,1H3,(H,14,16,17)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367245
PNG
(US10226464, Compound 14)
Show SMILES COc1cc(OC)c2cc3c(nc(=O)[nH]c3=O)oc2c1
Show InChI InChI=1S/C13H10N2O5/c1-18-6-3-9(19-2)7-5-8-11(16)14-13(17)15-12(8)20-10(7)4-6/h3-5H,1-2H3,(H,14,16,17)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367252
PNG
(US10226464, Compound 20)
Show SMILES CCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1Cl
Show InChI InChI=1S/C14H11ClN2O4/c1-2-3-20-11-6-10-7(5-9(11)15)4-8-12(18)16-14(19)17-13(8)21-10/h4-6H,2-3H2,1H3,(H,16,18,19)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367254
PNG
(US10226464, Compound 22)
Show SMILES CCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1Cl
Show InChI InChI=1S/C13H9ClN2O4/c1-2-19-8-4-3-6-5-7-11(17)15-13(18)16-12(7)20-10(6)9(8)14/h3-5H,2H2,1H3,(H,15,17,18)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367256
PNG
(US10226464, Compound 24)
Show SMILES CCCCn1c(=O)nc2oc3cc(OCC)ccc3cc2c1=O
Show InChI InChI=1S/C17H18N2O4/c1-3-5-8-19-16(20)13-9-11-6-7-12(22-4-2)10-14(11)23-15(13)18-17(19)21/h6-7,9-10H,3-5,8H2,1-2H3
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367267
PNG
(US10226464, Compound 35)
Show SMILES CC(C)CCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C17H17FN2O4/c1-9(2)4-3-5-23-14-8-13-10(7-12(14)18)6-11-15(21)19-17(22)20-16(11)24-13/h6-9H,3-5H2,1-2H3,(H,19,21,22)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367280
PNG
(US10226464, Compound 47)
Show SMILES CC(C)CCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1F
Show InChI InChI=1S/C17H17FN2O4/c1-9(2)4-3-7-23-12-6-5-10-8-11-15(21)19-17(22)20-16(11)24-14(10)13(12)18/h5-6,8-9H,3-4,7H2,1-2H3,(H,19,21,22)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367282
PNG
(US10226464, Compound 49)
Show SMILES CCOc1ccc2cc3c(nc(=O)[nH]c3=O)sc2c1
Show InChI InChI=1S/C13H10N2O3S/c1-2-18-8-4-3-7-5-9-11(16)14-13(17)15-12(9)19-10(7)6-8/h3-6H,2H2,1H3,(H,14,16,17)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367283
PNG
(US10226464, Compound 50)
Show SMILES CCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1
Show InChI InChI=1S/C15H14N2O4/c1-2-3-6-20-10-5-4-9-7-11-13(18)16-15(19)17-14(11)21-12(9)8-10/h4-5,7-8H,2-3,6H2,1H3,(H,16,18,19)
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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367284
PNG
(US10226464, Compound 51)
Show SMILES CC(=O)OCCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1
Show InChI InChI=1S/C17H16N2O6/c1-10(20)23-6-2-3-7-24-12-5-4-11-8-13-15(21)18-17(22)19-16(13)25-14(11)9-12/h4-5,8-9H,2-3,6-7H2,1H3,(H,18,21,22)
PDB

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Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367294
PNG
(US10226464, Compound 61)
Show SMILES COCCOCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1
Show InChI InChI=1S/C16H16N2O6/c1-21-4-5-22-6-7-23-11-3-2-10-8-12-14(19)17-16(20)18-15(12)24-13(10)9-11/h2-3,8-9H,4-7H2,1H3,(H,17,19,20)
PDB

UniProtKB/SwissProt

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n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367296
PNG
(US10226464, Compound 63)
Show SMILES COCCOCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1F
Show InChI InChI=1S/C16H15FN2O6/c1-22-4-5-23-6-7-24-11-3-2-9-8-10-14(20)18-16(21)19-15(10)25-13(9)12(11)17/h2-3,8H,4-7H2,1H3,(H,18,20,21)
PDB

UniProtKB/SwissProt

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n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367297
PNG
(US10226464, Compound 64)
Show SMILES COCCOCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1Cl
Show InChI InChI=1S/C16H15ClN2O6/c1-22-2-3-23-4-5-24-13-8-12-9(7-11(13)17)6-10-14(20)18-16(21)19-15(10)25-12/h6-8H,2-5H2,1H3,(H,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
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PC cid
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n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367298
PNG
(US10226464, Compound 65)
Show SMILES COCCOCCOc1cc2oc3nc(=O)[nH]c(=O)c3cc2cc1F
Show InChI InChI=1S/C16H15FN2O6/c1-22-2-3-23-4-5-24-13-8-12-9(7-11(13)17)6-10-14(20)18-16(21)19-15(10)25-12/h6-8H,2-5H2,1H3,(H,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM367299
PNG
(US10226464, Compound 66)
Show SMILES COCCCCOc1ccc2cc3c(nc(=O)[nH]c3=O)oc2c1Cl
Show InChI InChI=1S/C16H15ClN2O5/c1-22-6-2-3-7-23-11-5-4-9-8-10-14(20)18-16(21)19-15(10)24-13(9)12(11)17/h4-5,8H,2-3,6-7H2,1H3,(H,18,20,21)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Amgen



Assay Description
DNA binding reaction (20 μL) was carried out in 1×DNA Binding Buffer (10 mM Tris, 40 mM NaCl, 1 mM EDTA, 4% glycerol) with 10 nM c-Rel protein a...


Bioorg Med Chem Lett 17: 5384-9 (2007)


BindingDB Entry DOI: 10.7270/Q2028TVG
More data for this
Ligand-Target Pair
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