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Compile Data Set for Download or QSAR

Found 2667 hits Enz. Inhib. hit(s) with Target = 'Nuclear factor NF-kappa-B'   
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 factor NF-kappa-B


(Homo sapiens (Human))
BDBM49853
PNG
(2-(4-propoxyphenyl)imidazo[1,2-a]pyridine | MLS000...)
Show SMILES CCCOc1ccc(cc1)-c1cn2ccccc2n1
Show InChI InChI=1S/C16H16N2O/c1-2-11-19-14-8-6-13(7-9-14)15-12-18-10-4-3-5-16(18)17-15/h3-10,12H,2,11H2,1H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49488
PNG
((E)-3-amino-2-[2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-...)
Show SMILES CC(=N)C(C#N)C(=O)CSc1nnc(o1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C15H12N4O4S/c1-8(17)10(5-16)11(20)6-24-15-19-18-14(23-15)9-2-3-12-13(4-9)22-7-21-12/h2-4,10,17H,6-7H2,1H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49476
PNG
((E)-1-phenyl-3-phenylazanyl-prop-2-en-1-one | (E)-...)
Show SMILES O=C(CC=Nc1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H13NO/c17-15(13-7-3-1-4-8-13)11-12-16-14-9-5-2-6-10-14/h1-10,12H,11H2
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM43368
PNG
((1-acetamido-2,2,2-trichloroethyl) N,N-dimethylcar...)
Show SMILES CN(C)C(=S)SC(NC(C)=O)C(Cl)(Cl)Cl
Show InChI InChI=1S/C7H11Cl3N2OS2/c1-4(13)11-5(7(8,9)10)15-6(14)12(2)3/h5H,1-3H3,(H,11,13)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49606
PNG
(6-Bromo-2-(3,4-dichloro-phenyl)-imidazo[1,2-a]pyri...)
Show SMILES Clc1ccc(cc1Cl)-c1cn2cc(Br)ccc2n1
Show InChI InChI=1S/C13H7BrCl2N2/c14-9-2-4-13-17-12(7-18(13)6-9)8-1-3-10(15)11(16)5-8/h1-7H
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49493
PNG
(2-(5-bromanylthiophen-2-yl)imidazo[1,2-a]pyridine ...)
Show SMILES Brc1ccc(s1)-c1cn2ccccc2n1
Show InChI InChI=1S/C11H7BrN2S/c12-10-5-4-9(15-10)8-7-14-6-2-1-3-11(14)13-8/h1-7H
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49856
PNG
((Z)-1-(1,3-benzodioxol-5-yl)-3-(2-bromoanilino)-2-...)
Show SMILES Brc1ccccc1N=CCC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C16H12BrNO3/c17-12-3-1-2-4-13(12)18-8-7-14(19)11-5-6-15-16(9-11)21-10-20-15/h1-6,8-9H,7,10H2
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49857
PNG
(7-(2-oxidanylidenepropylsulfanyl)-2,3-dihydro-[1,4...)
Show SMILES CC(=O)CSc1nc2cc3OCCOc3cc2cc1C#N
Show InChI InChI=1S/C15H12N2O3S/c1-9(18)8-21-15-11(7-16)4-10-5-13-14(6-12(10)17-15)20-3-2-19-13/h4-6H,2-3,8H2,1H3
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49427
PNG
((4-heptoxyphenyl) pyridine-4-carboxylate | 4-pyrid...)
Show SMILES CCCCCCCOc1ccc(OC(=O)c2ccncc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-5-6-15-22-17-7-9-18(10-8-17)23-19(21)16-11-13-20-14-12-16/h7-14H,2-6,15H2,1H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49777
PNG
(1-(1,3-benzodioxol-5-yl)-3-(2,3-dihydro-1,4-benzod...)
Show SMILES O=C(Nc1ccc2OCOc2c1)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C16H14N2O5/c19-16(18-11-2-4-13-15(8-11)23-9-22-13)17-10-1-3-12-14(7-10)21-6-5-20-12/h1-4,7-8H,5-6,9H2,(H2,17,18,19)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49255
PNG
(2-(4-fluorophenyl)-5H-[1,2,4]triazol[5,1-a]isoindo...)
Show SMILES Fc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
Show InChI InChI=1S/C15H10FN3/c16-12-7-5-10(6-8-12)14-17-15-13-4-2-1-3-11(13)9-19(15)18-14/h1-8H,9H2
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49217
PNG
(3-(1,3-benzodioxol-5-ylmethylideneamino)-N,4-dimet...)
Show SMILES C\N=c1/scc(C)n1N=Cc1ccc2OCOc2c1
Show InChI InChI=1S/C13H13N3O2S/c1-9-7-19-13(14-2)16(9)15-6-10-3-4-11-12(5-10)18-8-17-11/h3-7H,8H2,1-2H3/b14-13-,15-6?
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49842
PNG
(3-(7-methyl-2-imidazo[1,2-a]pyridinyl)-1-benzopyra...)
Show SMILES Cc1ccn2cc(nc2c1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C17H12N2O2/c1-11-6-7-19-10-14(18-16(19)8-11)13-9-12-4-2-3-5-15(12)21-17(13)20/h2-10H,1H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49591
PNG
(Benzo[1,3]dioxole-5-carboxylic acid benzothiazol-2...)
Show SMILES O=C(Nc1nc2ccccc2s1)c1ccc2OCOc2c1
Show InChI InChI=1S/C15H10N2O3S/c18-14(9-5-6-11-12(7-9)20-8-19-11)17-15-16-10-3-1-2-4-13(10)21-15/h1-7H,8H2,(H,16,17,18)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49179
PNG
((3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic a...)
Show SMILES CCOC(=O)CSc1nc2cc(OC)ccc2cc1C#N
Show InChI InChI=1S/C15H14N2O3S/c1-3-20-14(18)9-21-15-11(8-16)6-10-4-5-12(19-2)7-13(10)17-15/h4-7H,3,9H2,1-2H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49576
PNG
(2-(4-aminophenyl)-1,3-benzothiazole-6-carboxylic a...)
Show SMILES Nc1ccc(cc1)-c1nc2ccc(cc2s1)C(O)=O
Show InChI InChI=1S/C14H10N2O2S/c15-10-4-1-8(2-5-10)13-16-11-6-3-9(14(17)18)7-12(11)19-13/h1-7H,15H2,(H,17,18)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49577
PNG
(3-(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-N-[4-(6-me...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)CCN2C(=O)c3ccccc3C2=O)cc1
Show InChI InChI=1S/C25H19N3O3S/c1-15-6-11-20-21(14-15)32-23(27-20)16-7-9-17(10-8-16)26-22(29)12-13-28-24(30)18-4-2-3-5-19(18)25(28)31/h2-11,14H,12-13H2,1H3,(H,26,29)
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49795
PNG
(MLS000674350 | N-(2,3-dihydro-1H-inden-5-yl)-4-met...)
Show SMILES Cc1ccc(cc1)C(=O)Nc1ccc2CCCc2c1
Show InChI InChI=1S/C17H17NO/c1-12-5-7-14(8-6-12)17(19)18-16-10-9-13-3-2-4-15(13)11-16/h5-11H,2-4H2,1H3,(H,18,19)
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49381
PNG
((3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-...)
Show SMILES Cc1cccnc1Nc1nc(cs1)-c1ccccn1
Show InChI InChI=1S/C14H12N4S/c1-10-5-4-8-16-13(10)18-14-17-12(9-19-14)11-6-2-3-7-15-11/h2-9H,1H3,(H,16,17,18)
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49428
PNG
((4-heptoxyphenyl) pyridine-3-carboxylate | 3-pyrid...)
Show SMILES CCCCCCCOc1ccc(OC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C19H23NO3/c1-2-3-4-5-6-14-22-17-9-11-18(12-10-17)23-19(21)16-8-7-13-20-15-16/h7-13,15H,2-6,14H2,1H3
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50131053
PNG
(10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...)
Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1
Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49417
PNG
((4-hexoxyphenyl) pyridine-3-carboxylate | 3-pyridi...)
Show SMILES CCCCCCOc1ccc(OC(=O)c2cccnc2)cc1
Show InChI InChI=1S/C18H21NO3/c1-2-3-4-5-13-21-16-8-10-17(11-9-16)22-18(20)15-7-6-12-19-14-15/h6-12,14H,2-5,13H2,1H3
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SRMLSC

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Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49800
PNG
(4-chloranyl-N-[2-(cyclohexen-1-yl)ethyl]benzamide ...)
Show SMILES Clc1ccc(cc1)C(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C15H18ClNO/c16-14-8-6-13(7-9-14)15(18)17-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H,17,18)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49987
PNG
(MLS000775145 | SMR000364885 | cid_16196816 | sulfu...)
Show SMILES OC(=O)c1ccc(cc1)N=NCc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C15H11F3N2O2/c16-15(17,18)12-5-1-10(2-6-12)9-19-20-13-7-3-11(4-8-13)14(21)22/h1-8H,9H2,(H,21,22)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49652
PNG
(4-fluoro-N-indan-5-yl-benzamide | MLS000389155 | N...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccc2CCCc2c1
Show InChI InChI=1S/C16H14FNO/c17-14-7-4-12(5-8-14)16(19)18-15-9-6-11-2-1-3-13(11)10-15/h4-10H,1-3H2,(H,18,19)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49533
PNG
(2-(4-keto-1,3-benzothiazin-2-yl)-N-phenyl-acetamid...)
Show SMILES O=C(Cc1nc(=O)c2ccccc2s1)Nc1ccccc1
Show InChI InChI=1S/C16H12N2O2S/c19-14(17-11-6-2-1-3-7-11)10-15-18-16(20)12-8-4-5-9-13(12)21-15/h1-9H,10H2,(H,17,19)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49373
PNG
((4-Dimethylamino-naphthalen-1-yl)-(4-dimethylamino...)
Show SMILES CN(C)c1ccc(cc1)C(=O)c1ccc(N(C)C)c2ccccc12
Show InChI InChI=1S/C21H22N2O/c1-22(2)16-11-9-15(10-12-16)21(24)19-13-14-20(23(3)4)18-8-6-5-7-17(18)19/h5-14H,1-4H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49974
PNG
((E)-3-(4-methylsulfanylphenyl)-N-phenyl-prop-2-ena...)
Show SMILES CSc1ccc(\C=C\C(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C16H15NOS/c1-19-15-10-7-13(8-11-15)9-12-16(18)17-14-5-3-2-4-6-14/h2-12H,1H3,(H,17,18)/b12-9+
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49973
PNG
(MLS001033481 | N-(4-butylphenyl)-2-pyrazinecarboxa...)
Show SMILES CCCCc1ccc(NC(=O)c2cnccn2)cc1
Show InChI InChI=1S/C15H17N3O/c1-2-3-4-12-5-7-13(8-6-12)18-15(19)14-11-16-9-10-17-14/h5-11H,2-4H2,1H3,(H,18,19)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49791
PNG
((E)-3-(3,4-dimethylanilino)-1-(2-thienyl)prop-2-en...)
Show SMILES Cc1ccc(cc1C)N=CCC(=O)c1cccs1
Show InChI InChI=1S/C15H15NOS/c1-11-5-6-13(10-12(11)2)16-8-7-14(17)15-4-3-9-18-15/h3-6,8-10H,7H2,1-2H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49863
PNG
(4-amino-N'-[(1E)-(4-methoxyphenyl)methylene]-1...)
Show SMILES COc1ccc(C=NN=C(N)c2nonc2N)cc1
Show InChI InChI=1S/C11H12N6O2/c1-18-8-4-2-7(3-5-8)6-14-15-10(12)9-11(13)17-19-16-9/h2-6H,1H3,(H2,12,15)(H2,13,17)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM45207
PNG
(4-amino-N'-(1,3-benzodioxol-5-ylmethylene)-1,2...)
Show SMILES NC(=NN=Cc1ccc2OCOc2c1)c1nonc1N
Show InChI InChI=1S/C11H10N6O3/c12-10(9-11(13)17-20-16-9)15-14-4-6-1-2-7-8(3-6)19-5-18-7/h1-4H,5H2,(H2,12,15)(H2,13,17)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49192
PNG
((3-Cyano-7-methoxy-quinolin-2-ylsulfanyl)-acetic a...)
Show SMILES COC(=O)CSc1nc2cc(OC)ccc2cc1C#N
Show InChI InChI=1S/C14H12N2O3S/c1-18-11-4-3-9-5-10(7-15)14(16-12(9)6-11)20-8-13(17)19-2/h3-6H,8H2,1-2H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50277067
PNG
(1-(8-chloro-5-methoxy-2-(thiophen-2-yl)quinazolin-...)
Show SMILES COc1ccc(Cl)c2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1
Show InChI InChI=1S/C18H13ClN4O3S/c1-9-8-13(24)23(18(9)25)22-17-14-11(26-2)6-5-10(19)15(14)20-16(21-17)12-4-3-7-27-12/h3-8H,1-2H3,(H,20,21,22)
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Columbia University

Curated by ChEMBL


Assay Description
Potentiation of TNFalpha-induced NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining


Bioorg Med Chem Lett 19: 1191-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.086
BindingDB Entry DOI: 10.7270/Q26H4H8Z
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49596
PNG
(2-[(E)-2-(2-fluorophenyl)ethenyl]quinoline | 2-[(E...)
Show SMILES Fc1ccccc1\C=C\c1ccc2ccccc2n1
Show InChI InChI=1S/C17H12FN/c18-16-7-3-1-5-13(16)9-11-15-12-10-14-6-2-4-8-17(14)19-15/h1-12H/b11-9+
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49715
PNG
(2-(3-bromanyl-4-methoxy-phenyl)-6-methyl-imidazo[1...)
Show SMILES COc1ccc(cc1Br)-c1cn2cc(C)ccc2n1
Show InChI InChI=1S/C15H13BrN2O/c1-10-3-6-15-17-13(9-18(15)8-10)11-4-5-14(19-2)12(16)7-11/h3-9H,1-2H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM43694
PNG
(MLS000578308 | N-[4-(1,3-benzothiazol-2-yl)phenyl]...)
Show SMILES Cc1nnc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)s1
Show InChI InChI=1S/C18H14N4OS3/c1-11-21-22-18(25-11)24-10-16(23)19-13-8-6-12(7-9-13)17-20-14-4-2-3-5-15(14)26-17/h2-9H,10H2,1H3,(H,19,23)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM45038
PNG
((6-methoxypyrimidin-4-yl)-(p-anisylideneamino)amin...)
Show SMILES COc1ccc(CN=Nc2cc(OC)ncn2)cc1
Show InChI InChI=1S/C13H14N4O2/c1-18-11-5-3-10(4-6-11)8-16-17-12-7-13(19-2)15-9-14-12/h3-7,9H,8H2,1-2H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM39032
PNG
(4-(5-ethyl-1,3-benzoxazol-2-yl)aniline | MLS000060...)
Show SMILES CCc1ccc2oc(nc2c1)-c1ccc(N)cc1
Show InChI InChI=1S/C15H14N2O/c1-2-10-3-8-14-13(9-10)17-15(18-14)11-4-6-12(16)7-5-11/h3-9H,2,16H2,1H3
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49393
PNG
(2-(4-chlorophenyl)-5H-[1,2,4]triazol[5,1-a]isoindo...)
Show SMILES Clc1ccc(cc1)-c1nc2-c3ccccc3Cn2n1
Show InChI InChI=1S/C15H10ClN3/c16-12-7-5-10(6-8-12)14-17-15-13-4-2-1-3-11(13)9-19(15)18-14/h1-8H,9H2
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49332
PNG
(MLS000105932 | SMR000102906 | benzimidazolo[1,2-c]...)
Show SMILES c1ccc2c(c1)nc1c3ccccc3nnn21
Show InChI InChI=1S/C13H8N4/c1-2-6-10-9(5-1)13-14-11-7-3-4-8-12(11)17(13)16-15-10/h1-8H
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49538
PNG
((Z)-3-(3-fluoroanilino)-1-(2-thienyl)prop-2-en-1-o...)
Show SMILES Fc1cccc(c1)N=CCC(=O)c1cccs1
Show InChI InChI=1S/C13H10FNOS/c14-10-3-1-4-11(9-10)15-7-6-12(16)13-5-2-8-17-13/h1-5,7-9H,6H2
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49636
PNG
((E)-1-(2,3-dihydroindol-1-yl)-3-thiophen-2-yl-2-pr...)
Show SMILES O=C(\C=C\c1cccs1)N1CCc2ccccc12
Show InChI InChI=1S/C15H13NOS/c17-15(8-7-13-5-3-11-18-13)16-10-9-12-4-1-2-6-14(12)16/h1-8,11H,9-10H2/b8-7+
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49776
PNG
(MLS000679548 | N-(3,4-dimethylphenyl)-1-indolineca...)
Show SMILES Cc1ccc(NC(=O)N2CCc3ccccc23)cc1C
Show InChI InChI=1S/C17H18N2O/c1-12-7-8-15(11-13(12)2)18-17(20)19-10-9-14-5-3-4-6-16(14)19/h3-8,11H,9-10H2,1-2H3,(H,18,20)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50135482
PNG
(1-(5-Methoxy-2-thiophen-2-yl-quinazolin-4-ylamino)...)
Show SMILES COc1cccc2nc(nc(NN3C(=O)C=C(C)C3=O)c12)-c1cccs1
Show InChI InChI=1S/C18H14N4O3S/c1-10-9-14(23)22(18(10)24)21-17-15-11(5-3-6-12(15)25-2)19-16(20-17)13-7-4-8-26-13/h3-9H,1-2H3,(H,19,20,21)
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Columbia University

Curated by ChEMBL


Assay Description
Potentiation of TNFalpha-induced NFkappaB p65 nuclear translocation in HUVEC cells by immunostaining


Bioorg Med Chem Lett 19: 1191-4 (2009)


Article DOI: 10.1016/j.bmcl.2008.12.086
BindingDB Entry DOI: 10.7270/Q26H4H8Z
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM38961
PNG
(2-(4-methyl-1-piperidinyl)-1,3-benzothiazole-6-car...)
Show SMILES CC1CCN(CC1)c1nc2ccc(cc2s1)C(O)=O
Show InChI InChI=1S/C14H16N2O2S/c1-9-4-6-16(7-5-9)14-15-11-3-2-10(13(17)18)8-12(11)19-14/h2-3,8-9H,4-7H2,1H3,(H,17,18)
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SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49216
PNG
(MLS000097869 | N-(6-methyl-1,3-benzothiazol-2-yl)-...)
Show SMILES Cc1ccc2nc(NC(=O)c3cccs3)sc2c1
Show InChI InChI=1S/C13H10N2OS2/c1-8-4-5-9-11(7-8)18-13(14-9)15-12(16)10-3-2-6-17-10/h2-7H,1H3,(H,14,15,16)
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n/an/an/an/a 389n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49646
PNG
(5-bromo-3-pyridinecarboxylic acid [2-[4-(6-methyl-...)
Show SMILES Cc1ccc2nc(sc2c1)-c1ccc(NC(=O)COC(=O)c2cncc(Br)c2)cc1
Show InChI InChI=1S/C22H16BrN3O3S/c1-13-2-7-18-19(8-13)30-21(26-18)14-3-5-17(6-4-14)25-20(27)12-29-22(28)15-9-16(23)11-24-10-15/h2-11H,12H2,1H3,(H,25,27)
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n/an/an/an/a 393n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49238
PNG
(4-(5-phenyl-1,3-oxazol-2-yl)benzamide | 4-(5-pheny...)
Show SMILES NC(=O)c1ccc(cc1)-c1ncc(o1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c17-15(19)12-6-8-13(9-7-12)16-18-10-14(20-16)11-4-2-1-3-5-11/h1-10H,(H2,17,19)
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n/an/an/an/a 403n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM49573
PNG
((E)-3-(2-fluoroanilino)-1-(2-thienyl)prop-2-en-1-o...)
Show SMILES Fc1ccccc1N=CCC(=O)c1cccs1
Show InChI InChI=1S/C13H10FNOS/c14-10-4-1-2-5-11(10)15-8-7-12(16)13-6-3-9-17-13/h1-6,8-9H,7H2
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n/an/an/an/a 413n/an/an/an/a



SRMLSC

Curated by PubChem BioAssay


Assay Description
Southern Research Molecular Libraries Screening Center (SRMLSC) Southern Research Institute (Birmingham, Alabama) NIH Molecular Libraries Screening C...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q27P8WT7
More data for this
Ligand-Target Pair
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