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Compile Data Set for Download or QSAR

Found 37 hits with Last Name = 'ninh' and Initial = 'tn'   
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))
BDBM50148911
PNG
((3beta)-3-hydroxyurs-12-en-28-oic acid | 3beta-hyd...)
Show SMILES C[C@@H]1CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C)C(O)=O |r,c:9|
Show InChI InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
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
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n/an/a 70n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
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
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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))
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
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n/an/a 120n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of TNF alpha stimulated NF-KappaB p65 in human HeLa nuclear extract assessed as decrease in NF-KappaB translocation to nucleus measured af...


J Nat Prod 82: 1645-1655 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00140
BindingDB Entry DOI: 10.7270/Q2QR51FV
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50463331
PNG
(CHEMBL4204109)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C(O)=O)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC)C(C)=C |r|
Show InChI InChI=1S/C31H48O5/c1-18(2)19-10-15-30(26(35)36-7)16-17-31(25(33)34)20(24(19)30)8-9-22-28(5)13-12-23(32)27(3,4)21(28)11-14-29(22,31)6/h19-24,32H,1,8-17H2,2-7H3,(H,33,34)/t19-,20+,21-,22+,23-,24+,28-,29+,30-,31+/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50463328
PNG
(CHEBI:1368 | CHEMBL451476)
Show SMILES COc1cc2c3c(oc(=O)c4cc(O)c(OC)c(oc2=O)c34)c1OC
Show InChI InChI=1S/C17H12O8/c1-21-9-5-7-11-10-6(16(19)25-15(11)13(9)23-3)4-8(18)12(22-2)14(10)24-17(7)20/h4-5,18H,1-3H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50346601
PNG
(NSC-114945 | OLEANOLIC_ACID | Oleanolic acid | Ole...)
Show SMILES CC1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1)C(O)=O |r,c:10|
Show InChI InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
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
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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))
BDBM50508913
PNG
(CHEMBL4443808)
Show SMILES [H][C@@]1(C[C@H](O)[C@H](O[C@]2([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@@H](C)O1)O[C@H]1CC[C@]2(C)[C@@]3([H])CC[C@]4(C)[C@H](CC[C@]4(O)[C@]3([H])CC[C@]2(O)C1)C1=CC(=O)OC1 |r,t:52|
Show InChI InChI=1S/C35H54O13/c1-17-30(48-31-29(41)28(40)27(39)24(15-36)47-31)23(37)13-26(45-17)46-19-4-8-32(2)21-5-9-33(3)20(18-12-25(38)44-16-18)7-11-35(33,43)22(21)6-10-34(32,42)14-19/h12,17,19-24,26-31,36-37,39-43H,4-11,13-16H2,1-3H3/t17-,19+,20-,21+,22-,23+,24-,26+,27-,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1
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n/an/a 4.30E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of TNF alpha stimulated NF-KappaB p65 in human HeLa nuclear extract assessed as decrease in NF-KappaB translocation to nucleus measured af...


J Nat Prod 82: 1645-1655 (2019)


Article DOI: 10.1021/acs.jnatprod.9b00140
BindingDB Entry DOI: 10.7270/Q2QR51FV
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50463333
PNG
(CHEMBL4250573)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](OC(=O)\C=C\c4ccc(O)cc4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|
Show InChI InChI=1S/C39H54O6/c1-23(2)26-16-19-39(34(43)44)21-20-37(6)27(32(26)39)13-14-30-36(5)22-28(41)33(35(3,4)29(36)17-18-38(30,37)7)45-31(42)15-10-24-8-11-25(40)12-9-24/h8-12,15,26-30,32-33,40-41H,1,13-14,16-22H2,2-7H3,(H,43,44)/b15-10+/t26-,27+,28+,29-,30+,32+,33-,36-,37+,38+,39-/m0/s1
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n/an/a 4.70E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50463337
PNG
(3Beta-E-Feruloylbetulinic Acid | CHEMBL451046)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)\C=C\c4ccc(O)c(OC)c4)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|
Show InChI InChI=1S/C40H56O6/c1-24(2)26-15-20-40(35(43)44)22-21-38(6)27(34(26)40)11-13-31-37(5)18-17-32(36(3,4)30(37)16-19-39(31,38)7)46-33(42)14-10-25-9-12-28(41)29(23-25)45-8/h9-10,12,14,23,26-27,30-32,34,41H,1,11,13,15-22H2,2-8H3,(H,43,44)/b14-10+/t26-,27+,30-,31+,32-,34+,37-,38+,39+,40-/m0/s1
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n/an/a 5.40E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50249188
PNG
(Alphitolic acid | CHEMBL511805)
Show SMILES CC(=C)[C@@H]1CC[C@@]2(CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]12)C(O)=O |r|
Show InChI InChI=1S/C30H48O4/c1-17(2)18-10-13-30(25(33)34)15-14-28(6)19(23(18)30)8-9-22-27(5)16-20(31)24(32)26(3,4)21(27)11-12-29(22,28)7/h18-24,31-32H,1,8-16H2,2-7H3,(H,33,34)/t18-,19+,20+,21-,22+,23+,24-,27-,28+,29+,30-/m0/s1
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n/an/a 8.70E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM23207
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-5-(hydroxymet...)
Show SMILES [H][C@]12[C@@H](CC[C@]1(CO)CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(C)=C
Show InChI InChI=1S/C30H50O2/c1-19(2)20-10-15-30(18-31)17-16-28(6)21(25(20)30)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h20-25,31-32H,1,8-18H2,2-7H3/t20-,21+,22-,23+,24-,25+,27-,28+,29+,30+/m0/s1
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n/an/a 8.80E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
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+
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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+
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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
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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+
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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))
BDBM50463327
PNG
(CHEMBL4242588)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(CO)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|
Show InChI InChI=1S/C30H48O4/c1-18(2)19-9-14-29(25(33)34)15-16-30(17-31)20(24(19)29)7-8-22-27(5)12-11-23(32)26(3,4)21(27)10-13-28(22,30)6/h19-24,31-32H,1,7-17H2,2-6H3,(H,33,34)/t19-,20+,21-,22+,23-,24+,27-,28+,29-,30-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50463329
PNG
(CHEMBL4246020)
Show SMILES [H][C@@]12CC[C@]3(C)[C@]([H])(CC=C4[C@]5([H])[C@@H](C)[C@H](C)CC[C@@]5(CC[C@@]34C)C(O)=O)[C@@]1(C)CC[C@H](OC(=O)c1ccc(Cl)cc1)C2(C)C |r,t:9|
Show InChI InChI=1S/C37H51ClO4/c1-22-14-19-37(32(40)41)21-20-35(6)26(30(37)23(22)2)12-13-28-34(5)17-16-29(33(3,4)27(34)15-18-36(28,35)7)42-31(39)24-8-10-25(38)11-9-24/h8-12,22-23,27-30H,13-21H2,1-7H3,(H,40,41)/t22-,23+,27+,28-,29+,30+,34+,35-,36-,37+/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50463330
PNG
((3S,5R)-Loliolide | CHEBI:69774 | Loliolide)
Show SMILES C[C@@]12C[C@@H](O)CC(C)(C)C1=CC(=O)O2 |r,c:10|
Show InChI InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM23208
PNG
((1R,2R,5S,8R,9R,10R,13R,14R,17S,19R)-17-hydroxy-1,...)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C
Show InChI InChI=1S/C30H48O3/c1-18(2)19-10-15-30(25(32)33)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h19-24,31H,1,8-17H2,2-7H3,(H,32,33)/t19-,20+,21-,22+,23-,24+,27-,28+,29+,30-/m0/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
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
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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))
BDBM50463332
PNG
(CHEMBL4251037)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C(O)=O)[C@]2([H])CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|
Show InChI InChI=1S/C30H46O5/c1-17(2)18-9-14-29(24(32)33)15-16-30(25(34)35)19(23(18)29)7-8-21-27(5)12-11-22(31)26(3,4)20(27)10-13-28(21,30)6/h18-23,31H,1,7-16H2,2-6H3,(H,32,33)(H,34,35)/t18-,19+,20-,21+,22-,23+,27-,28+,29-,30+/m0/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50218196
PNG
(3-beta,28-Dihydroxy-urs-12-ene | CHEMBL399873 | US...)
Show SMILES C[C@@H]1CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2[C@H]1C |r,c:11|
Show InChI InChI=1S/C30H50O2/c1-19-10-15-30(18-31)17-16-28(6)21(25(30)20(19)2)8-9-23-27(5)13-12-24(32)26(3,4)22(27)11-14-29(23,28)7/h8,19-20,22-25,31-32H,9-18H2,1-7H3/t19-,20+,22+,23-,24+,25+,27+,28-,29-,30-/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50218200
PNG
((3S,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-(hydroxymet...)
Show SMILES CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]34C)[C@@H]2C1 |r,c:12|
Show InChI InChI=1S/C30H50O2/c1-25(2)14-16-30(19-31)17-15-28(6)20(21(30)18-25)8-9-23-27(5)12-11-24(32)26(3,4)22(27)10-13-29(23,28)7/h8,21-24,31-32H,9-19H2,1-7H3/t21-,22-,23+,24-,27-,28+,29+,30+/m0/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50463334
PNG
(CHEMBL4250193)
Show SMILES COc1c(OC)c2oc(=O)c3cc4OCOc4c4oc(=O)c(c1OC)c2c34
Show InChI InChI=1S/C18H12O9/c1-21-12-10-9-8-6(17(19)26-14(9)16(23-3)15(12)22-2)4-7-11(25-5-24-7)13(8)27-18(10)20/h4H,5H2,1-3H3
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50463335
PNG
(CHEBI:69916 | Sideroxylin)
Show SMILES COc1c(C)c(O)c2c(oc(cc2=O)-c2ccc(O)cc2)c1C
Show InChI InChI=1S/C18H16O5/c1-9-16(21)15-13(20)8-14(11-4-6-12(19)7-5-11)23-18(15)10(2)17(9)22-3/h4-8,19,21H,1-3H3
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50463336
PNG
(BLUMENOL A | CHEBI:49164)
Show SMILES C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C |r,c:8|
Show InChI InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of biotinylated consensus sequence binding to NF-kB p65 in human HeLa nuclear extracts after 3 hrs by ELISA


Bioorg Med Chem 26: 4452-4460 (2018)


Article DOI: 10.1016/j.bmc.2018.07.025
BindingDB Entry DOI: 10.7270/Q2N300MM
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
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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+
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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+
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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
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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
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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
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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
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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
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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))
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
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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