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PubMed code 21513293

Compile data set for download or QSAR
Found 7 hits of Enzyme Inhibition Constant Data   
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))
BDBM50196926
PNG
(CHEMBL438139 | Rocaglamide | US10085988, Compound ...)
Show SMILES COc1ccc(cc1)[C@@]12Oc3cc(OC)cc(OC)c3[C@]1(O)[C@H](O)[C@@H]([C@H]2c1ccccc1)C(=O)N(C)C
Show InChI InChI=1S/C29H31NO7/c1-30(2)27(32)23-24(17-9-7-6-8-10-17)29(18-11-13-19(34-3)14-12-18)28(33,26(23)31)25-21(36-5)15-20(35-4)16-22(25)37-29/h6-16,23-24,26,31,33H,1-5H3/t23-,24-,26-,28+,29+/m1/s1
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Article
PubMed
n/an/a 75n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1
Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 250n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347543
PNG
(CHEMBL1801948)
Show SMILES C[C@H]1CCCC(=O)C(=O)C(=O)CCCc2cc(O)cc(O)c2C(=O)O1
Show InChI InChI=1S/C18H20O7/c1-10-4-2-6-13(20)17(23)14(21)7-3-5-11-8-12(19)9-15(22)16(11)18(24)25-10/h8-10,19,22H,2-7H2,1H3/t10-/m0/s1
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n/an/a 750n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50336457
PNG
((3S,5Z,8S,9R,11E)-8,9,16-trihydroxy-14-methoxy-3-m...)
Show SMILES COc1cc(O)c2c(CCCC(=O)C(=O)C(=O)CCC[C@H](C)OC2=O)c1
Show InChI InChI=1S/C19H22O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h9-11,22H,3-8H2,1-2H3/t11-/m0/s1
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n/an/a 1.15E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347544
PNG
(ZEAENOL)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@@H](O)\C=C\C[C@H](C)OC2=O
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14-,15-,18+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347545
PNG
(CHEMBL1801949)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)[C@H](O)\C=C\C[C@H](C)OC2=O
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h3-4,6-7,9-11,14-15,18,20-23H,5,8H2,1-2H3/b6-4+,7-3+/t11-,14+,15-,18+/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B


(Homo sapiens (Human))
BDBM50347546
PNG
(CHEMBL1801951)
Show SMILES COc1cc(O)c2c(c1)\C=C\C[C@H](O)[C@H](O)C(=O)CCC[C@H](C)OC2=O
Show InChI InChI=1S/C19H24O7/c1-11-5-3-7-14(20)18(23)15(21)8-4-6-12-9-13(25-2)10-16(22)17(12)19(24)26-11/h4,6,9-11,15,18,21-23H,3,5,7-8H2,1-2H3/b6-4+/t11-,15-,18+/m0/s1
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PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



University of North Carolina at Greensboro

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells by ELISA


J Nat Prod 74: 1126-31 (2011)


Article DOI: 10.1021/np200062x
BindingDB Entry DOI: 10.7270/Q25M6621
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%