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Compile Data Set for Download or QSAR

Found 61 hits with Last Name = 'farnsworth' and Initial = 'nr'   
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 p105 subunit


(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 p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
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 80n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50251002
PNG
((2S)-2',4'-dihydroxy-2' '-(1-hydroxy-1-methylethyl...)
Show SMILES CC(C)(O)C1Cc2c(O1)ccc1C(=O)C[C@H](Oc21)c1ccc(O)cc1O |r|
Show InChI InChI=1S/C20H20O6/c1-20(2,24)18-8-13-16(25-18)6-5-12-15(23)9-17(26-19(12)13)11-4-3-10(21)7-14(11)22/h3-7,17-18,21-22,24H,8-9H2,1-2H3/t17-,18?/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50251003
PNG
(CHEMBL457679 | cid_5318585 | isolicoflavonol)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2cc(-[#8])cc(-[#8])c2c(=O)c1-[#8]
Show InChI InChI=1S/C20H18O6/c1-10(2)3-4-11-7-12(5-6-14(11)22)20-19(25)18(24)17-15(23)8-13(21)9-16(17)26-20/h3,5-9,21-23,25H,4H2,1-2H3
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n/an/a 100n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50251004
PNG
((2S)-abyssinone II | CHEMBL457680)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-[#6]-1-[#6]-[#6](=O)-c2c(-[#8])cc(-[#8])cc2-[#8]-1
Show InChI InChI=1S/C20H20O5/c1-11(2)3-4-12-7-13(5-6-15(12)22)18-10-17(24)20-16(23)8-14(21)9-19(20)25-18/h3,5-9,18,21-23H,4,10H2,1-2H3
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n/an/a 400n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50250979
PNG
(3'-[gamma-hydroxymethyl-(E)-gamma-methylallyl]-2,4...)
Show SMILES C\C(COC(=O)\C=C\c1ccc(O)cc1)=C/Cc1c(O)ccc(C(=O)\C=C\c2ccc(O)cc2O)c1O
Show InChI InChI=1S/C29H26O8/c1-18(17-37-28(35)15-5-19-3-8-21(30)9-4-19)2-11-23-26(33)14-12-24(29(23)36)25(32)13-7-20-6-10-22(31)16-27(20)34/h2-10,12-16,30-31,33-34,36H,11,17H2,1H3/b13-7+,15-5+,18-2+
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n/an/a 500n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(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 2.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50317857
PNG
(Artorigidin A | CHEMBL1094756)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc-3c(-[#6]-[#6@H](-[#6](-[#6])=[#6])-c4c(-[#8])c(-[#8])cc(-[#8])c-34)c(=O)c2c1-[#8] |r|
Show InChI InChI=1S/C30H32O7/c1-13(2)7-9-16-25(33)17(10-8-14(3)4)29-24(26(16)34)27(35)19-11-18(15(5)6)22-23(30(19)37-29)20(31)12-21(32)28(22)36/h7-8,12,18,31-34,36H,5,9-11H2,1-4,6H3/t18-/m1/s1
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n/an/a 2.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50251005
PNG
((2S)-5,7,2',4'-tetrahydroxyflavanone | (S)-2-(2,4-...)
Show SMILES Oc1ccc([C@@H]2CC(=O)c3c(O)cc(O)cc3O2)c(O)c1 |r|
Show InChI InChI=1S/C15H12O6/c16-7-1-2-9(10(18)3-7)13-6-12(20)15-11(19)4-8(17)5-14(15)21-13/h1-5,13,16-19H,6H2/t13-/m0/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50317859
PNG
(CHEMBL1099162 | artobiloxanthone)
Show SMILES CC(=C)[C@H]1Cc2c(O)c3c(oc2-c2c(O)cc(O)c(O)c12)c1C=CC(C)(C)Oc1cc3=O |r,c:25|
Show InChI InChI=1S/C25H22O7/c1-10(2)12-7-13-21(29)20-15(27)9-17-11(5-6-25(3,4)32-17)23(20)31-24(13)19-14(26)8-16(28)22(30)18(12)19/h5-6,8-9,12,26,28-30H,1,7H2,2-4H3/t12-/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50250510
PNG
(CHEMBL462879 | GARCINONE D)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]-[#6]C([#6])([#6])[#8]
Show InChI InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
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n/an/a 3.20E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50251006
PNG
((2S)-Euchrenone a7 | CHEMBL457686)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc2-[#6](=O)-[#6]-[#6@H](-[#8]-c12)-c1ccc(-[#8])cc1-[#8] |r|
Show InChI InChI=1S/C20H20O5/c1-11(2)3-5-14-16(22)8-7-15-18(24)10-19(25-20(14)15)13-6-4-12(21)9-17(13)23/h3-4,6-9,19,21-23H,5,10H2,1-2H3/t19-/m0/s1
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50317859
PNG
(CHEMBL1099162 | artobiloxanthone)
Show SMILES CC(=C)[C@H]1Cc2c(O)c3c(oc2-c2c(O)cc(O)c(O)c12)c1C=CC(C)(C)Oc1cc3=O |r,c:25|
Show InChI InChI=1S/C25H22O7/c1-10(2)12-7-13-21(29)20-15(27)9-17-11(5-6-25(3,4)32-17)23(20)31-24(13)19-14(26)8-16(28)22(30)18(12)19/h5-6,8-9,12,26,28-30H,1,7H2,2-4H3/t12-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
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 4.00E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50251013
PNG
(2,4,2',4'-tetrahydroxy-3'-prenylchalcone | CHEMBL4...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])ccc(-[#6](=O)\[#6]=[#6]\c2ccc(-[#8])cc2-[#8])c1-[#8]
Show InChI InChI=1S/C20H20O5/c1-12(2)3-7-15-18(23)10-8-16(20(15)25)17(22)9-5-13-4-6-14(21)11-19(13)24/h3-6,8-11,21,23-25H,7H2,1-2H3/b9-5+
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n/an/a 4.60E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM9460
PNG
(3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione | 3...)
Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1
Show InChI InChI=1S/C13H16N2O2/c1-2-13(8-7-11(16)15-12(13)17)9-3-5-10(14)6-4-9/h3-6H,2,7-8,14H2,1H3,(H,15,16,17)
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50250978
PNG
(CHEMBL463638 | isogemichalcone C)
Show SMILES COc1cc(\C=C\C(=O)OC\C(C)=C\Cc2c(O)ccc(C(=O)\C=C\c3ccc(O)cc3O)c2O)ccc1O
Show InChI InChI=1S/C30H28O9/c1-18(17-39-29(36)14-5-19-4-11-26(34)28(15-19)38-2)3-9-22-25(33)13-10-23(30(22)37)24(32)12-7-20-6-8-21(31)16-27(20)35/h3-8,10-16,31,33-35,37H,9,17H2,1-2H3/b12-7+,14-5+,18-3+
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n/an/a 7.10E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50251015
PNG
(CHEMBL454705 | albanol A)
Show SMILES CC1=C[C@H]2C3[C@H](C1)c1ccc(O)cc1O[C@]3(Oc1cc(cc(O)c21)-c1cc2ccc(O)cc2o1)c1ccc(O)cc1O |r,t:1|
Show InChI InChI=1S/C34H26O8/c1-16-8-23-22-6-4-21(37)15-30(22)41-34(25-7-5-19(35)13-26(25)38)33(23)24(9-16)32-27(39)10-18(12-31(32)42-34)28-11-17-2-3-20(36)14-29(17)40-28/h2-7,9-15,23-24,33,35-39H,8H2,1H3/t23-,24-,33?,34+/m1/s1
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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50241454
PNG
(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50242016
PNG
(CHEMBL464007 | broussoflavonol F)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1cc(ccc1-[#8])-c1oc2c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])cc(-[#8])c2c(=O)c1-[#8]
Show InChI InChI=1S/C25H26O6/c1-13(2)5-7-15-11-16(8-10-18(15)26)24-23(30)22(29)21-20(28)12-19(27)17(25(21)31-24)9-6-14(3)4/h5-6,8,10-12,26-28,30H,7,9H2,1-4H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50317861
PNG
(Artoristilbene | CHEMBL1096732)
Show SMILES CC1(C)Oc2cc3Oc4cc(O)ccc4C(=O)Cc3cc2C=C1 |c:24|
Show InChI InChI=1S/C19H16O4/c1-19(2)6-5-11-7-12-8-15(21)14-4-3-13(20)9-18(14)22-16(12)10-17(11)23-19/h3-7,9-10,20H,8H2,1-2H3
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50317860
PNG
(Artonin O | CHEMBL1096733)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1-[#6](=O)-[#6](=O)-[#6]-2=[#6](-[#6]-1=O)-c1oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(=O)c3c(-[#8])c1-[#6]-[#6@@H]-2-[#6](-[#6])=[#6] |r,c:10|
Show InChI InChI=1S/C30H30O7/c1-13(2)7-9-16-20(31)12-21-23(25(16)32)27(34)19-11-18(15(5)6)22-24(30(19)37-21)26(33)17(10-8-14(3)4)28(35)29(22)36/h7-8,12,17-18,31,34H,5,9-11H2,1-4,6H3/t17?,18-/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50317861
PNG
(Artoristilbene | CHEMBL1096732)
Show SMILES CC1(C)Oc2cc3Oc4cc(O)ccc4C(=O)Cc3cc2C=C1 |c:24|
Show InChI InChI=1S/C19H16O4/c1-19(2)6-5-11-7-12-8-15(21)14-4-3-13(20)9-18(14)22-16(12)10-17(11)23-19/h3-7,9-10,20H,8H2,1-2H3
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50317862
PNG
(CHEMBL1096731 | Cyclorigidol)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3-c4cc(-[#8])c(-[#8])cc4-[#8]-[#6](\[#6]=[#6](\[#6])-[#6])-c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C30H32O7/c1-14(2)7-9-17-26(33)18(10-8-15(3)4)29-25(27(17)34)28(35)24-23(11-16(5)6)36-22-13-21(32)20(31)12-19(22)30(24)37-29/h7-8,11-13,23,31-34H,9-10H2,1-6H3
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50317860
PNG
(Artonin O | CHEMBL1096733)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-1-[#6](=O)-[#6](=O)-[#6]-2=[#6](-[#6]-1=O)-c1oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(=O)c3c(-[#8])c1-[#6]-[#6@@H]-2-[#6](-[#6])=[#6] |r,c:10|
Show InChI InChI=1S/C30H30O7/c1-13(2)7-9-16-20(31)12-21-23(25(16)32)27(34)19-11-18(15(5)6)22-24(30(19)37-21)26(33)17(10-8-14(3)4)28(35)29(22)36/h7-8,12,17-18,31,34H,5,9-11H2,1-4,6H3/t17?,18-/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50085545
PNG
(3-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-5-methoxy-p...)
Show SMILES COc1cc(O)cc(\C=C\c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C17H18O4/c1-19-15-9-13(8-14(18)11-15)5-4-12-6-7-16(20-2)17(10-12)21-3/h4-11,18H,1-3H3/b5-4+
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50317858
PNG
(CHEMBL1095556 | cycloartobiloxanthone)
Show SMILES CC1(C)Oc2c3[C@@H]1Cc1c(oc4c5C=CC(C)(C)Oc5cc(O)c4c1=O)-c3c(O)cc2O |r,c:14|
Show InChI InChI=1S/C25H22O7/c1-24(2)6-5-10-16(31-24)9-14(27)19-20(29)11-7-12-17-18(22(11)30-21(10)19)13(26)8-15(28)23(17)32-25(12,3)4/h5-6,8-9,12,26-28H,7H2,1-4H3/t12-/m0/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50085545
PNG
(3-[(E)-2-(3,4-Dimethoxy-phenyl)-vinyl]-5-methoxy-p...)
Show SMILES COc1cc(O)cc(\C=C\c2ccc(OC)c(OC)c2)c1
Show InChI InChI=1S/C17H18O4/c1-19-15-9-13(8-14(18)11-15)5-4-12-6-7-16(20-2)17(10-12)21-3/h4-11,18H,1-3H3/b5-4+
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p65 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50317857
PNG
(Artorigidin A | CHEMBL1094756)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc-3c(-[#6]-[#6@H](-[#6](-[#6])=[#6])-c4c(-[#8])c(-[#8])cc(-[#8])c-34)c(=O)c2c1-[#8] |r|
Show InChI InChI=1S/C30H32O7/c1-13(2)7-9-16-25(33)17(10-8-14(3)4)29-24(26(16)34)27(35)19-11-18(15(5)6)22-23(30(19)37-29)20(31)12-21(32)28(22)36/h7-8,12,18,31-34,36H,5,9-11H2,1-4,6H3/t18-/m1/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50317862
PNG
(CHEMBL1096731 | Cyclorigidol)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3-c4cc(-[#8])c(-[#8])cc4-[#8]-[#6](\[#6]=[#6](\[#6])-[#6])-c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C30H32O7/c1-14(2)7-9-17-26(33)18(10-8-15(3)4)29-25(27(17)34)28(35)24-23(11-16(5)6)36-22-13-21(32)20(31)12-19(22)30(24)37-29/h7-8,11-13,23,31-34H,9-10H2,1-6H3
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50317858
PNG
(CHEMBL1095556 | cycloartobiloxanthone)
Show SMILES CC1(C)Oc2c3[C@@H]1Cc1c(oc4c5C=CC(C)(C)Oc5cc(O)c4c1=O)-c3c(O)cc2O |r,c:14|
Show InChI InChI=1S/C25H22O7/c1-24(2)6-5-10-16(31-24)9-14(27)19-20(29)11-7-12-17-18(22(11)30-21(10)19)13(26)8-15(28)23(17)32-25(12,3)4/h5-6,8-9,12,26-28H,7H2,1-4H3/t12-/m0/s1
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The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of NFkappa p50 isolated from nuclear extract of human HeLa cells assessed as blockade of binding to biotinylated consesus sequence by chem...


J Nat Prod 73: 949-55 (2010)


Article DOI: 10.1021/np1002065
BindingDB Entry DOI: 10.7270/Q28S4QWW
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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n/an/a 1.13E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50241454
PNG
(1,6-dihydroxy-3,7-dimethoxy-2,8-bis(3-methylbut-2-...)
Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c(-[#8])c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C25H28O6/c1-13(2)7-9-15-18(29-5)12-20-22(23(15)27)24(28)21-16(10-8-14(3)4)25(30-6)17(26)11-19(21)31-20/h7-8,11-12,26-27H,9-10H2,1-6H3
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n/an/a 1.21E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
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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n/an/a 1.59E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM23419
PNG
((2S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3,4-dihydro...)
Show SMILES Oc1ccc(cc1)[C@@H]1CC(=O)c2c(O)cc(O)cc2O1 |r|
Show InChI InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-6,13,16-18H,7H2/t13-/m0/s1
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50311743
PNG
(CHEMBL487992 | GARTANIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
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n/an/a 1.90E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50311745
PNG
(11-hydroxy-3-O-methyl-1-isomangostin | CHEMBL10806...)
Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c2-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c12
Show InChI InChI=1S/C25H28O7/c1-12(2)7-8-13-20-17(10-15(26)23(13)30-6)31-18-11-16(29-5)14-9-19(27)25(3,4)32-24(14)21(18)22(20)28/h7,10-11,19,26-27H,8-9H2,1-6H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50311744
PNG
(CHEMBL1076209 | cratoxyxanthone)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]-[#6@H](-[#6@@H](-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6])-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1c2=O)C([#6])([#6])[#8] |r|
Show InChI InChI=1S/C48H50O13/c1-20(2)11-14-23-32-28(17-26(49)44(23)57-9)59-31-19-30-34(43(55)35(31)41(32)53)36(47(61-30)48(7,8)56)37-39(51)25(16-13-22(5)6)40(52)38-42(54)33-24(15-12-21(3)4)45(58-10)27(50)18-29(33)60-46(37)38/h11-13,17-19,36,47,49-52,55-56H,14-16H2,1-10H3/t36-,47+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50311741
PNG
(1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:15|
Show InChI InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50311740
PNG
(11-hydroxy-1-isomangostin | CHEMBL1080697)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c4-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c4c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(10-15(26)22(12)29-5)30-17-9-14(25)13-8-18(27)24(3,4)31-23(13)20(17)21(19)28/h6,9-10,18,25-27H,7-8H2,1-5H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50311744
PNG
(CHEMBL1076209 | cratoxyxanthone)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]-[#6@H](-[#6@@H](-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](/[#6])-[#6])-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c1c2=O)C([#6])([#6])[#8] |r|
Show InChI InChI=1S/C48H50O13/c1-20(2)11-14-23-32-28(17-26(49)44(23)57-9)59-31-19-30-34(43(55)35(31)41(32)53)36(47(61-30)48(7,8)56)37-39(51)25(16-13-22(5)6)40(52)38-42(54)33-24(15-12-21(3)4)45(58-10)27(50)18-29(33)60-46(37)38/h11-13,17-19,36,47,49-52,55-56H,14-16H2,1-10H3/t36-,47+/m0/s1
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50311743
PNG
(CHEMBL487992 | GARTANIN)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])ccc(-[#8])c3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O6/c1-11(2)5-7-13-19(26)14(8-6-12(3)4)22-18(20(13)27)21(28)17-15(24)9-10-16(25)23(17)29-22/h5-6,9-10,24-27H,7-8H2,1-4H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50311742
PNG
(8-DEOXYGARTANIN | 8-desoxygartanin | CHEMBL488606)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c2oc3c(-[#8])cccc3c(=O)c2c1-[#8]
Show InChI InChI=1S/C23H24O5/c1-12(2)8-10-14-19(25)16(11-9-13(3)4)23-18(20(14)26)21(27)15-6-5-7-17(24)22(15)28-23/h5-9,24-26H,10-11H2,1-4H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50311741
PNG
(1,6-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-6',...)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc4-[#8]C([#6])([#6])[#6]=[#6]-c4c(-[#8])c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6] |c:15|
Show InChI InChI=1S/C24H24O6/c1-12(2)6-7-14-19-17(10-15(25)23(14)28-5)29-18-11-16-13(8-9-24(3,4)30-16)21(26)20(18)22(19)27/h6,8-11,25-26H,7H2,1-5H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50250510
PNG
(CHEMBL462879 | GARCINONE D)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c3c(=O)c2c1-[#6]-[#6]C([#6])([#6])[#8]
Show InChI InChI=1S/C24H28O7/c1-12(2)6-7-13-15(25)10-18-20(21(13)27)22(28)19-14(8-9-24(3,4)29)23(30-5)16(26)11-17(19)31-18/h6,10-11,25-27,29H,7-9H2,1-5H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(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 p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Nuclear factor NF-kappa-B p105 subunit


(Homo sapiens (Human))
BDBM50311740
PNG
(11-hydroxy-1-isomangostin | CHEMBL1080697)
Show SMILES [#6]-[#8]-c1c(-[#8])cc2oc3cc(-[#8])c4-[#6]-[#6](-[#8])C([#6])([#6])[#8]-c4c3c(=O)c2c1-[#6]\[#6]=[#6](\[#6])-[#6]
Show InChI InChI=1S/C24H26O7/c1-11(2)6-7-12-19-16(10-15(26)22(12)29-5)30-17-9-14(25)13-8-18(27)24(3,4)31-23(13)20(17)21(19)28/h6,9-10,18,25-27H,7-8H2,1-5H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of p50 after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Transcription factor p65


(Homo sapiens (Human))
BDBM50311745
PNG
(11-hydroxy-3-O-methyl-1-isomangostin | CHEMBL10806...)
Show SMILES [#6]-[#8]-c1cc2oc3cc(-[#8])c(-[#8]-[#6])c(-[#6]\[#6]=[#6](\[#6])-[#6])c3c(=O)c2c2-[#8]C([#6])([#6])[#6](-[#8])-[#6]-c12
Show InChI InChI=1S/C25H28O7/c1-12(2)7-8-13-20-17(10-15(26)23(13)30-6)31-18-11-16(29-5)14-9-19(27)25(3,4)32-24(14)21(18)22(20)28/h7,10-11,19,26-27H,8-9H2,1-6H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The Ohio State University

Curated by ChEMBL


Assay Description
Inhibition of nuclear factor NF-kappa-B p65 subunit after 1 hr by ELISA


J Nat Prod 72: 2028-31 (2009)


Article DOI: 10.1021/np900517h
BindingDB Entry DOI: 10.7270/Q2R49QWK
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50250977
PNG
(5,7,2',4'-tetrahydroxy-3-geranylflavone | CHEMBL45...)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]\[#6](-[#6])=[#6]\[#6]-c1c(-[#8])c2c(cc(-[#8])cc2=O)oc1-c1ccc(-[#8])cc1-[#8]
Show InChI InChI=1S/C25H26O6/c1-14(2)5-4-6-15(3)7-9-19-24(30)23-21(29)12-17(27)13-22(23)31-25(19)18-10-8-16(26)11-20(18)28/h5,7-8,10-13,26-28,30H,4,6,9H2,1-3H3/b15-7+
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n/an/a 2.40E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
Aromatase


(Homo sapiens (Human))
BDBM50251012
PNG
(CHEMBL465879 | broussonin A)
Show SMILES COc1ccc(CCCc2ccc(O)cc2)c(O)c1
Show InChI InChI=1S/C16H18O3/c1-19-15-10-7-13(16(18)11-15)4-2-3-12-5-8-14(17)9-6-12/h5-11,17-18H,2-4H2,1H3
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Inhibition of aromatase from human placental microsomes


J Nat Prod 64: 1286-93 (2001)


BindingDB Entry DOI: 10.7270/Q2RB74C4
More data for this
Ligand-Target Pair
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