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Compile Data Set for Download or QSAR

Found 11 hits from BioPharmaNet   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331545
PNG
(2H-furo[2,3-h]chromen-2-one | CHEMBL53569 | Furo[2...)
Show SMILES O=c1ccc2ccc3occc3c2o1
Show InChI InChI=1S/C11H6O3/c12-10-4-2-7-1-3-9-8(5-6-13-9)11(7)14-10/h1-6H
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PubMed
n/an/a 2.50E+3n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331544
PNG
(7H-furo[3,2-g]chromen-7-one | CHEMBL164660 | Furo[...)
Show SMILES O=c1ccc2cc3ccoc3cc2o1
Show InChI InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H
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n/an/a 3.00E+3n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331548
PNG
(4-((7-hydroxy-4-oxo-1,2,3,4-tetrahydrocyclopenta[c...)
Show SMILES OC(=O)c1ccc(COc2cc(O)cc3oc(=O)c4CCCc4c23)cc1
Show InChI InChI=1S/C20H16O6/c21-13-8-16(25-10-11-4-6-12(7-5-11)19(22)23)18-14-2-1-3-15(14)20(24)26-17(18)9-13/h4-9,21H,1-3,10H2,(H,22,23)
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n/an/a 5.00E+3n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331546
PNG
(2-(4,5,6-trihydroxy-3-oxo-3H-xanthen-9-yl)benzenes...)
Show SMILES Oc1ccc2c(-c3ccccc3S(O)(=O)=O)c3ccc(=O)c(O)c3oc2c1O
Show InChI InChI=1S/C19H12O8S/c20-12-7-5-10-15(9-3-1-2-4-14(9)28(24,25)26)11-6-8-13(21)17(23)19(11)27-18(10)16(12)22/h1-8,20,22-23H,(H,24,25,26)
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n/an/a 1.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331543
PNG
(3-(3-fluoro-4-methoxyphenyl)-5-phenyl-7H-furo[3,2-...)
Show SMILES COc1ccc(cc1F)-c1coc2cc3oc(=O)cc(-c4ccccc4)c3cc12
Show InChI InChI=1S/C24H15FO4/c1-27-21-8-7-15(9-20(21)25)19-13-28-22-12-23-17(10-18(19)22)16(11-24(26)29-23)14-5-3-2-4-6-14/h2-13H,1H3
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n/an/a 2.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331542
PNG
(3-(benzo[d][1,3]dioxol-5-yl)-5-phenyl-7H-furo[3,2-...)
Show SMILES O=c1cc(-c2ccccc2)c2cc3c(coc3cc2o1)-c1ccc2OCOc2c1
Show InChI InChI=1S/C24H14O5/c25-24-10-16(14-4-2-1-3-5-14)17-9-18-19(12-26-21(18)11-22(17)29-24)15-6-7-20-23(8-15)28-13-27-20/h1-12H,13H2
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n/an/a 2.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331547
PNG
(CHEMBL210287 | bromopyrogallol red)
Show SMILES Oc1c(Br)cc2c(-c3ccccc3S(O)(=O)=O)c3cc(Br)c(=O)c(O)c3oc2c1O
Show InChI InChI=1S/C19H10Br2O8S/c20-10-5-8-13(7-3-1-2-4-12(7)30(26,27)28)9-6-11(21)15(23)17(25)19(9)29-18(8)16(24)14(10)22/h1-6,22,24-25H,(H,26,27,28)
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n/an/a 3.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331541
PNG
(2-(2-methoxyethylamino)-6-methyl-3-(3,4,5-trimetho...)
Show SMILES COCCNc1oc2c(c1-c1cc(OC)c(OC)c(OC)c1)c(=O)oc1c(C)cccc21
Show InChI InChI=1S/C24H25NO7/c1-13-7-6-8-15-20(13)32-24(26)19-18(23(31-21(15)19)25-9-10-27-2)14-11-16(28-3)22(30-5)17(12-14)29-4/h6-8,11-12,25H,9-10H2,1-5H3
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n/an/a 4.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50146462
PNG
((2E)-3-(2-hydroxyphenyl)-2-propenoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccccc1O
Show InChI InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+
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n/an/a 5.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50331540
PNG
(8-(4-Methoxy-benzoyl)-4-methyl-9-phenyl-furo[2,3-h...)
Show SMILES COc1ccc(cc1)C(=O)c1oc2ccc3c(C)cc(=O)oc3c2c1-c1ccccc1
Show InChI InChI=1S/C26H18O5/c1-15-14-21(27)31-25-19(15)12-13-20-23(25)22(16-6-4-3-5-7-16)26(30-20)24(28)17-8-10-18(29-2)11-9-17/h3-14H,1-2H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B (NF-kB)


(Homo sapiens (Human))
BDBM50022178
PNG
(4-Methyl-7-hydroxycoumarin | 4-methylumbelliferone...)
Show SMILES Cc1cc(=O)oc2cc(O)ccc12
Show InChI InChI=1S/C10H8O3/c1-6-4-10(12)13-9-5-7(11)2-3-8(6)9/h2-5,11H,1H3
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n/an/a 2.00E+5n/an/an/an/an/an/a



BioPharmaNet

Curated by ChEMBL


Assay Description
Inhibition of NF-KB p50 subunit/DNA interaction after 20 mins by EMSA


Bioorg Med Chem 18: 8341-9 (2010)


Article DOI: 10.1016/j.bmc.2010.09.063
BindingDB Entry DOI: 10.7270/Q27W6CFD
More data for this
Ligand-Target Pair