BindingDB logo
myBDB logout

PubMed code 21428375

Compile data set for download or QSAR
Found 16 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
Transcription factor p65


(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 |r|
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
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a 75n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346334
PNG
(1,3,7-trihydroxy-2,4-diisoprenylxanthone | CHEMBL1...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3ccc(-[#8])cc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O5/c1-12(2)5-8-15-20(25)16(9-6-13(3)4)23-19(21(15)26)22(27)17-11-14(24)7-10-18(17)28-23/h5-7,10-11,24-26H,8-9H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.90E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346339
PNG
(4-Methyl-3,6-di-O-methyl-alpha-mangostin | CHEMBL1...)
Show SMILES [#6]-[#8]-c1cc2oc3c(-[#6])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c(-[#6]\[#6]=[#6](\[#6])-[#6])c1-[#8]-[#6]
Show InChI InChI=1S/C27H32O6/c1-14(2)9-11-17-21-19(13-20(30-6)27(17)32-8)33-26-16(5)25(31-7)18(12-10-15(3)4)23(28)22(26)24(21)29/h9-10,13,28H,11-12H2,1-8H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50214969
PNG
(1,3,6-Trihydroxy-7-methoxy-2,8-bis-(3-methyl-but-2...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
KEGG
PC cid
PC sid
PDB
UniChem

Patents


Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346335
PNG
(CHEMBL1782241 | Cochinchinone A)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O5/c1-16(2)7-6-8-18(5)10-13-21-25(30)20(12-9-17(3)4)26(31)24-27(32)22-15-19(29)11-14-23(22)33-28(21)24/h7,9-11,14-15,29-31H,6,8,12-13H2,1-5H3/b18-10+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346336
PNG
(3-O-acetyl-alpha-mangostin | CHEMBL1782242)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8]-[#6](-[#6])=O)c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H28O7/c1-13(2)7-9-16-19(32-15(5)27)12-21-23(24(16)29)25(30)22-17(10-8-14(3)4)26(31-6)18(28)11-20(22)33-21/h7-8,11-12,28-29H,9-10H2,1-6H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346338
PNG
(7-methoxy-2,8-bis(3-methylbut-2-enyl)-9-oxo-9H-xan...)
Show SMILES [#6]-[#8]-c1c(-[#8]-[#6](-[#6])=O)cc2oc3cc(-[#8]-[#6](-[#6])=O)c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8]-[#6](-[#6])=O)c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C30H32O9/c1-15(2)9-11-20-22(36-17(5)31)13-24-27(30(20)38-19(7)33)28(34)26-21(12-10-16(3)4)29(35-8)25(37-18(6)32)14-23(26)39-24/h9-10,13-14H,11-12H2,1-8H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346344
PNG
(7-O-Methylcochinchinone A | CHEMBL1782582)
Show SMILES [#6]-[#8]-c1ccc2oc3c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1
Show InChI InChI=1S/C29H34O5/c1-17(2)8-7-9-19(5)11-14-22-26(30)21(13-10-18(3)4)27(31)25-28(32)23-16-20(33-6)12-15-24(23)34-29(22)25/h8,10-12,15-16,30-31H,7,9,13-14H2,1-6H3/b19-11+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346345
PNG
(3,7-Di-O-methylcochinchinone A | CHEMBL1782583)
Show SMILES [#6]-[#8]-c1ccc2oc3c(-[#6]\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1
Show InChI InChI=1S/C30H36O5/c1-18(2)9-8-10-20(5)12-15-23-29(34-7)22(14-11-19(3)4)27(31)26-28(32)24-17-21(33-6)13-16-25(24)35-30(23)26/h9,11-13,16-17,31H,8,10,14-15H2,1-7H3/b20-12+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346337
PNG
(3,6-di-O-acetyl-alpha-mangostin | CHEMBL465553 | d...)
Show SMILES [#6]-[#8]-c1c(-[#8]-[#6](-[#6])=O)cc2oc3cc(-[#8]-[#6](-[#6])=O)c(-[#6]\[#6]=[#6](/[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C28H30O8/c1-14(2)8-10-18-20(34-16(5)29)12-22-25(26(18)31)27(32)24-19(11-9-15(3)4)28(33-7)23(35-17(6)30)13-21(24)36-22/h8-9,12-13,31H,10-11H2,1-7H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346340
PNG
(3,6-di-O-methyl-alpha-mangostin | CHEMBL464524 | d...)
Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8]-[#6])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C26H30O6/c1-14(2)8-10-16-18(29-5)12-20-23(24(16)27)25(28)22-17(11-9-15(3)4)26(31-7)21(30-6)13-19(22)32-20/h8-9,12-13,27H,10-11H2,1-7H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346341
PNG
(6-O-benzoyl-alpha-mangostin | CHEMBL1782245)
Show SMILES [#6]-[#8]-c1c(-[#8]-[#6](=O)-c2ccccc2)cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C31H30O7/c1-17(2)11-13-20-22(32)15-23-27(28(20)33)29(34)26-21(14-12-18(3)4)30(36-5)25(16-24(26)37-23)38-31(35)19-9-7-6-8-10-19/h6-12,15-16,32-33H,13-14H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346333
PNG
((1S,3aR,5R,12aR)-3,3a,4,5-tetrahydro-8,10-dihydrox...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6][C@]12[#8]C([#6])([#6])[#6@H]3-[#6]-[#6@H](-[#6]=[#6]4-[#6](=O)-c5c(-[#8])cc(-[#8])cc5-[#8][C@]134)-[#6]2=O |r,t:13,TLB:28:27:26:6.7,28:27:13.14:11.10,4:5:13.14:11.10,6:5:13.14:11.10,THB:13:12:26:6.7|
Show InChI InChI=1S/C23H24O6/c1-11(2)5-6-22-20(27)12-7-14-19(26)18-15(25)9-13(24)10-16(18)28-23(14,22)17(8-12)21(3,4)29-22/h5,7,9-10,12,17,24-25H,6,8H2,1-4H3/t12-,17+,22+,23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346346
PNG
(7-O-Benzoylcochinchinone A | CHEMBL1782584)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8]-[#6](=O)-c3ccccc3)cc1c2=O
Show InChI InChI=1S/C35H36O6/c1-21(2)10-9-11-23(5)15-18-27-31(36)26(17-14-22(3)4)32(37)30-33(38)28-20-25(16-19-29(28)41-34(27)30)40-35(39)24-12-7-6-8-13-24/h6-8,10,12-16,19-20,36-37H,9,11,17-18H2,1-5H3/b23-15+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346343
PNG
(3,7-Di-O-acetylcochinchinone A | CHEMBL1782248)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8]-[#6](-[#6])=O)c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8]-[#6](-[#6])=O)cc1c2=O
Show InChI InChI=1S/C32H36O7/c1-18(2)9-8-10-20(5)12-15-25-31(38-22(7)34)24(14-11-19(3)4)29(35)28-30(36)26-17-23(37-21(6)33)13-16-27(26)39-32(25)28/h9,11-13,16-17,35H,8,10,14-15H2,1-7H3/b20-12+
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346342
PNG
(1-isomangostin hydrate | CHEMBL1782247)
Show SMILES COc1c(O)cc2oc3cc(O)c4CCC(C)(C)Oc4c3c(=O)c2c1CCC(C)(C)O
Show InChI InChI=1S/C24H28O7/c1-23(2,28)8-6-13-18-16(11-15(26)21(13)29-5)30-17-10-14(25)12-7-9-24(3,4)31-22(12)19(17)20(18)27/h10-11,25-26,28H,6-9H2,1-5H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 in nuclear extract of human HeLa cells assessed as blockade of NFkappa p65 binding to biotinylated-consesus sequence by ELI...


J Nat Prod 74: 1117-25 (2011)


Article DOI: 10.1021/np200051j
BindingDB Entry DOI: 10.7270/Q20C4W31
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%