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Compile Data Set for Download or QSAR

Found 102 hits with Last Name = 'bellido' and Initial = 'ml'   
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
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM217379
PNG
(CDDO-Me, 2)
Show SMILES COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:16,20|
Show InChI InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1
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n/an/a 2.38E+3n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382731
PNG
(CHEMBL2023564)
Show SMILES [#6]-[#6@H]-1-[#8]-[#6@@H](-[#8][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6@H]-2-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-2)-[#6@H](-[#8])-[#6@@H](-[#8])-[#6@H]-1-[#8] |r,c:17|
Show InChI InChI=1S/C21H36O5/c1-13(2)7-6-12-21(5,16-10-8-14(3)9-11-16)26-20-19(24)18(23)17(22)15(4)25-20/h7-8,15-20,22-24H,6,9-12H2,1-5H3/t15-,16-,17+,18+,19-,20+,21+/m1/s1
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n/an/a 6.30E+3n/an/an/an/an/an/a



Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p4xM67-tk-Luc treated 30 mins before TNFalpha challenge measured after...


J Nat Prod 75: 453-8 (2012)


Article DOI: 10.1021/np2008973
BindingDB Entry DOI: 10.7270/Q2765GB1
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456756
PNG
(CHEMBL4214981)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC(C#N)=C(O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,25|
Show InChI InChI=1S/C32H47NO3/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,22-24,34H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456770
PNG
(CHEMBL4208824)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccc(OC)cc1)C(=O)OC |r,c:22,t:15|
Show InChI InChI=1S/C38H52O4/c1-33(2)18-20-38(32(40)42-9)21-19-36(6)27(28(38)23-33)14-15-30-35(5)22-26(24-10-12-25(41-8)13-11-24)31(39)34(3,4)29(35)16-17-37(30,36)7/h10-14,22,28-30H,15-21,23H2,1-9H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456769
PNG
(CHEMBL4211797)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)C(=O)OC |r,c:32,t:15|
Show InChI InChI=1S/C32H45NO3/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,17,22-24H,10-16,18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456763
PNG
(CHEMBL4210989)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22|
Show InChI InChI=1S/C33H48O5/c1-20(34)38-23-19-30(6)24(29(4,5)26(23)35)12-13-32(8)25(30)11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,32)7/h10,19,22,24-25H,11-18H2,1-9H3/t22-,24-,25+,30-,31+,32+,33-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456755
PNG
(CHEMBL4212101)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(I)=C[C@]21C)C(=O)OC |r,c:33,t:15|
Show InChI InChI=1S/C31H45IO3/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,18,20,22-23H,10-17H2,1-8H3/t20-,22-,23+,28-,29+,30+,31-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456757
PNG
(CHEMBL4209008)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)c1ccc(cc1)C#N)C(=O)OC |r,c:32,t:15|
Show InChI InChI=1S/C38H49NO3/c1-33(2)17-19-38(32(41)42-8)20-18-36(6)27(28(38)22-33)13-14-30-35(5)21-26(25-11-9-24(23-39)10-12-25)31(40)34(3,4)29(35)15-16-37(30,36)7/h9-13,21,28-30H,14-20,22H2,1-8H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456764
PNG
(CHEMBL4218752)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4cnoc4C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C32H47NO3/c1-27(2)13-15-32(26(34)35-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20-19-33-36-25(20)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456760
PNG
(CHEMBL4205263)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccccc1)C(=O)OC |r,c:22,t:15|
Show InChI InChI=1S/C37H50O3/c1-32(2)18-20-37(31(39)40-8)21-19-35(6)26(27(37)23-32)14-15-29-34(5)22-25(24-12-10-9-11-13-24)30(38)33(3,4)28(34)16-17-36(29,35)7/h9-14,22,27-29H,15-21,23H2,1-8H3/t27-,28-,29+,34-,35+,36+,37-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456758
PNG
(CHEMBL1631518)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456767
PNG
(CHEMBL4211445)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC(C=O)=C(O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,25|
Show InChI InChI=1S/C32H48O4/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24,34H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456762
PNG
(CHEMBL4215072)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)OC)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22|
Show InChI InChI=1S/C33H48O5/c1-28(2)14-16-33(27(36)38-9)17-15-31(6)21(22(33)19-28)10-11-24-30(5)18-20(26(35)37-8)25(34)29(3,4)23(30)12-13-32(24,31)7/h10,18,22-24H,11-17,19H2,1-9H3/t22-,23-,24+,30-,31+,32+,33-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456765
PNG
(CHEMBL1915188)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=CC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,c:22,t:15|
Show InChI InChI=1S/C31H46O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,12-13,21-23H,10-11,14-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456759
PNG
(CHEMBL4215902)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(Br)=C[C@]21C)C(=O)OC |r,c:33,t:15|
Show InChI InChI=1S/C31H45BrO3/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,18,20,22-23H,10-17H2,1-8H3/t20-,22-,23+,28-,29+,30+,31-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456761
PNG
(CHEMBL4213753)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#Cc1ccccc1)C(=O)OC |r,c:32,t:15|
Show InChI InChI=1S/C39H50O3/c1-34(2)20-22-39(33(41)42-8)23-21-37(6)28(29(39)25-34)16-17-31-36(5)24-27(15-14-26-12-10-9-11-13-26)32(40)35(3,4)30(36)18-19-38(31,37)7/h9-13,16,24,29-31H,17-23,25H2,1-8H3/t29-,30-,31+,36-,37+,38+,39-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456766
PNG
(CHEMBL4209967)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(\C=C\C(=O)OCC)=C[C@]21C)C(=O)OC |r,c:39,t:15|
Show InChI InChI=1S/C36H52O5/c1-10-41-28(37)14-11-23-21-33(6)26(32(4,5)29(23)38)15-16-35(8)27(33)13-12-24-25-22-31(2,3)17-19-36(25,30(39)40-9)20-18-34(24,35)7/h11-12,14,21,25-27H,10,13,15-20,22H2,1-9H3/b14-11+/t25-,26-,27+,33-,34+,35+,36-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50456768
PNG
(CHEMBL4211885)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C(O)=O)C(=O)OC |r,c:32,t:15|
Show InChI InChI=1S/C32H46O5/c1-27(2)13-15-32(26(36)37-8)16-14-30(6)20(21(32)18-27)9-10-23-29(5)17-19(25(34)35)24(33)28(3,4)22(29)11-12-31(23,30)7/h9,17,21-23H,10-16,18H2,1-8H3,(H,34,35)/t21-,22-,23+,29-,30+,31+,32-/m0/s1
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n/an/a 2.57E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(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>5.00E+4n/an/an/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of IFN-gamma stimulated STAT3 (unknown origin) expressed in human HeLa cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382730
PNG
((-)-ALPHA-BISABOLOL | ALPHA-BISABOLOL)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6][C@]([#6])([#8])[#6@H]-1-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-1 |r,c:13|
Show InChI InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
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Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p4xM67-tk-Luc treated 30 mins before TNFalpha challenge measured after...


J Nat Prod 75: 453-8 (2012)


Article DOI: 10.1021/np2008973
BindingDB Entry DOI: 10.7270/Q2765GB1
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50382732
PNG
(CHEMBL2023565)
Show SMILES [#6]-[#6@H]-1-[#8]-[#6@@H](-[#8][C@@]([#6])([#6]-[#6]\[#6]=[#6](\[#6])-[#6])[#6@H]-2-[#6]-[#6]-[#6](-[#6])=[#6]-[#6]-2)-[#6@H](-[#8])-[#6@@H](-[#8]-[#6](=O)\[#6]=[#6](\[#6])-[#6])-[#6@H]-1-[#8] |r,c:17|
Show InChI InChI=1S/C26H42O6/c1-16(2)9-8-14-26(7,20-12-10-18(5)11-13-20)32-25-23(29)24(22(28)19(6)30-25)31-21(27)15-17(3)4/h9-10,15,19-20,22-25,28-29H,8,11-14H2,1-7H3/t19-,20-,22+,23-,24+,25+,26+/m1/s1
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Universit£ di Napoli Federico II

Curated by ChEMBL


Assay Description
Inhibition of IFNgamma-induced STAT3 activation in human HeLa cells expressing p4xM67-tk-Luc treated 30 mins before TNFalpha challenge measured after...


J Nat Prod 75: 453-8 (2012)


Article DOI: 10.1021/np2008973
BindingDB Entry DOI: 10.7270/Q2765GB1
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456756
PNG
(CHEMBL4214981)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC(C#N)=C(O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,25|
Show InChI InChI=1S/C32H47NO3/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,22-24,34H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456758
PNG
(CHEMBL1631518)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CCC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C31H48O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,21-23H,10-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456759
PNG
(CHEMBL4215902)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(Br)=C[C@]21C)C(=O)OC |r,c:33,t:15|
Show InChI InChI=1S/C31H45BrO3/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,18,20,22-23H,10-17H2,1-8H3/t20-,22-,23+,28-,29+,30+,31-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456757
PNG
(CHEMBL4209008)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)c1ccc(cc1)C#N)C(=O)OC |r,c:32,t:15|
Show InChI InChI=1S/C38H49NO3/c1-33(2)17-19-38(32(41)42-8)20-18-36(6)27(28(38)22-33)13-14-30-35(5)21-26(25-11-9-24(23-39)10-12-25)31(40)34(3,4)29(35)15-16-37(30,36)7/h9-13,21,28-30H,14-20,22H2,1-8H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456760
PNG
(CHEMBL4205263)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccccc1)C(=O)OC |r,c:22,t:15|
Show InChI InChI=1S/C37H50O3/c1-32(2)18-20-37(31(39)40-8)21-19-35(6)26(27(37)23-32)14-15-29-34(5)22-25(24-12-10-9-11-13-24)30(38)33(3,4)28(34)16-17-36(29,35)7/h9-14,22,27-29H,15-21,23H2,1-8H3/t27-,28-,29+,34-,35+,36+,37-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456761
PNG
(CHEMBL4213753)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#Cc1ccccc1)C(=O)OC |r,c:32,t:15|
Show InChI InChI=1S/C39H50O3/c1-34(2)20-22-39(33(41)42-8)23-21-37(6)28(29(39)25-34)16-17-31-36(5)24-27(15-14-26-12-10-9-11-13-26)32(40)35(3,4)30(36)18-19-38(31,37)7/h9-13,16,24,29-31H,17-23,25H2,1-8H3/t29-,30-,31+,36-,37+,38+,39-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456762
PNG
(CHEMBL4215072)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)OC)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22|
Show InChI InChI=1S/C33H48O5/c1-28(2)14-16-33(27(36)38-9)17-15-31(6)21(22(33)19-28)10-11-24-30(5)18-20(26(35)37-8)25(34)29(3,4)23(30)12-13-32(24,31)7/h10,18,22-24H,11-17,19H2,1-9H3/t22-,23-,24+,30-,31+,32+,33-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456763
PNG
(CHEMBL4210989)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(OC(C)=O)C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,22|
Show InChI InChI=1S/C33H48O5/c1-20(34)38-23-19-30(6)24(29(4,5)26(23)35)12-13-32(8)25(30)11-10-21-22-18-28(2,3)14-16-33(22,27(36)37-9)17-15-31(21,32)7/h10,19,22,24-25H,11-18H2,1-9H3/t22-,24-,25+,30-,31+,32+,33-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456765
PNG
(CHEMBL1915188)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=CC(=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,c:22,t:15|
Show InChI InChI=1S/C31H46O3/c1-26(2)15-17-31(25(33)34-8)18-16-29(6)20(21(31)19-26)9-10-23-28(5)13-12-24(32)27(3,4)22(28)11-14-30(23,29)7/h9,12-13,21-23H,10-11,14-19H2,1-8H3/t21-,22-,23+,28-,29+,30+,31-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456766
PNG
(CHEMBL4209967)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(\C=C\C(=O)OCC)=C[C@]21C)C(=O)OC |r,c:39,t:15|
Show InChI InChI=1S/C36H52O5/c1-10-41-28(37)14-11-23-21-33(6)26(32(4,5)29(23)38)15-16-35(8)27(33)13-12-24-25-22-31(2,3)17-19-36(25,30(39)40-9)20-18-34(24,35)7/h11-12,14,21,25-27H,10,13,15-20,22H2,1-9H3/b14-11+/t25-,26-,27+,33-,34+,35+,36-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456764
PNG
(CHEMBL4218752)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)Cc4cnoc4C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15|
Show InChI InChI=1S/C32H47NO3/c1-27(2)13-15-32(26(34)35-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20-19-33-36-25(20)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456769
PNG
(CHEMBL4211797)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)C(=O)OC |r,c:32,t:15|
Show InChI InChI=1S/C32H45NO3/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,17,22-24H,10-16,18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM217379
PNG
(CDDO-Me, 2)
Show SMILES COC(=O)[C@]12CCC(C)(C)C[C@H]1[C@H]1C(=O)C=C3[C@@]4(C)C=C(C#N)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 |r,t:16,20|
Show InChI InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-31(7)24(20(32)17-27)21(34)15-23-29(5)16-19(18-33)25(35)28(3,4)22(29)9-10-30(23,31)6/h15-16,20,22,24H,9-14,17H2,1-8H3/t20-,22-,24-,29-,30+,31+,32-/m0/s1
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n/an/an/an/a 60n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456770
PNG
(CHEMBL4208824)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C=C(C(=O)C(C)(C)[C@]3([H])CC[C@@]12C)c1ccc(OC)cc1)C(=O)OC |r,c:22,t:15|
Show InChI InChI=1S/C38H52O4/c1-33(2)18-20-38(32(40)42-9)21-19-36(6)27(28(38)23-33)14-15-30-35(5)22-26(24-10-12-25(41-8)13-11-24)31(39)34(3,4)29(35)16-17-37(30,36)7/h10-14,22,28-30H,15-21,23H2,1-9H3/t28-,29-,30+,35-,36+,37+,38-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456767
PNG
(CHEMBL4211445)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC(C=O)=C(O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)OC |r,t:15,25|
Show InChI InChI=1S/C32H48O4/c1-27(2)13-15-32(26(35)36-8)16-14-30(6)21(22(32)18-27)9-10-24-29(5)17-20(19-33)25(34)28(3,4)23(29)11-12-31(24,30)7/h9,19,22-24,34H,10-18H2,1-8H3/t22-,23-,24+,29-,30+,31+,32-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456755
PNG
(CHEMBL4212101)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(I)=C[C@]21C)C(=O)OC |r,c:33,t:15|
Show InChI InChI=1S/C31H45IO3/c1-26(2)13-15-31(25(34)35-8)16-14-29(6)19(20(31)17-26)9-10-23-28(5)18-21(32)24(33)27(3,4)22(28)11-12-30(23,29)7/h9,18,20,22-23H,10-17H2,1-8H3/t20-,22-,23+,28-,29+,30+,31-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Nuclear factor erythroid 2-related factor 2


(Homo sapiens (Human))
BDBM50456768
PNG
(CHEMBL4211885)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C(O)=O)C(=O)OC |r,c:32,t:15|
Show InChI InChI=1S/C32H46O5/c1-27(2)13-15-32(26(36)37-8)16-14-30(6)20(21(32)18-27)9-10-23-29(5)17-19(25(34)35)24(33)28(3,4)22(29)11-12-31(23,30)7/h9,17,21-23H,10-16,18H2,1-8H3,(H,34,35)/t21-,22-,23+,29-,30+,31+,32-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Activation of Nrf2 (unknown origin) expressed in human HaCaT-ARE-luc cells after 6 hrs by luciferase reporter gene assay


J Nat Prod 80: 2276-2283 (2017)


Article DOI: 10.1021/acs.jnatprod.7b00271
BindingDB Entry DOI: 10.7270/Q2VX0K32
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529621
PNG
(CHEMBL4563191)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NO |r,t:15|
Show InChI InChI=1S/C30H49NO4/c1-25(2)12-14-30(24(34)31-35)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(32)23(33)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,32-33,35H,9-17H2,1-7H3,(H,31,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/an/an/a 7.10E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529623
PNG
(CHEMBL4460360)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC(=O)[C@@]2([H])[C@@]1(C)CC[C@@]1([H])C(C)(C)C(=O)C(=C[C@]21C)C#N)C(=O)OC |r,c:33,t:15|
Show InChI InChI=1S/C32H43NO4/c1-27(2)11-13-32(26(36)37-8)14-12-30(6)20(21(32)17-27)15-22(34)24-29(5)16-19(18-33)25(35)28(3,4)23(29)9-10-31(24,30)7/h15-16,21,23-24H,9-14,17H2,1-8H3/t21-,23-,24+,29-,30+,31+,32-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529624
PNG
(CHEMBL4473530)
Show SMILES [H][C@@]12[C@@H](CC[C@@]1(CC[C@]1(C)C2CC[C@]2([H])[C@@]3(C)CC[C@H](OC(=O)CC(C)(C)C(O)=O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O)C(C)=C |r|
Show InChI InChI=1S/C36H56O6/c1-21(2)22-12-17-36(30(40)41)19-18-34(8)23(28(22)36)10-11-25-33(7)15-14-26(42-27(37)20-31(3,4)29(38)39)32(5,6)24(33)13-16-35(25,34)9/h22-26,28H,1,10-20H2,2-9H3,(H,38,39)(H,40,41)/t22-,23?,24-,25+,26-,28-,33-,34+,35+,36-/m0/s1
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Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529622
PNG
(CHEMBL4562991)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NO |r,t:15|
Show InChI InChI=1S/C30H47NO4/c1-25(2)12-14-30(24(34)31-35)15-13-28(6)18(19(30)17-25)16-20(32)23-27(5)10-9-22(33)26(3,4)21(27)8-11-29(23,28)7/h16,19,21-23,33,35H,8-15,17H2,1-7H3,(H,31,34)/t19-,21-,22-,23+,27-,28+,29+,30-/m0/s1
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n/an/an/an/a 1.14E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529621
PNG
(CHEMBL4563191)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)C[C@@H](O)[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NO |r,t:15|
Show InChI InChI=1S/C30H49NO4/c1-25(2)12-14-30(24(34)31-35)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(32)23(33)26(3,4)21(27)10-11-29(22,28)7/h8,19-23,32-33,35H,9-17H2,1-7H3,(H,31,34)/t19-,20+,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/an/an/a 7.10E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50329195
PNG
((2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-N,10-dihyd...)
Show SMILES CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(=O)NO |r,t:19|
Show InChI InChI=1S/C30H47NO4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)33)20(32)16-18-19-17-27(4,24(34)31-35)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,33,35H,8-15,17H2,1-7H3,(H,31,34)/t19-,21-,22-,23+,26+,27-,28-,29+,30+/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529626
PNG
(CHEMBL4463388)
Show SMILES [H][C@@]12[C@@H](CC[C@@]1(CC[C@]1(C)C2CC[C@]2([H])[C@@]3(C)Cc4cn[nH]c4C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NO)C(C)=C |r|
Show InChI InChI=1S/C31H47N3O2/c1-18(2)20-10-13-31(26(35)34-36)15-14-29(6)21(24(20)31)8-9-23-28(5)16-19-17-32-33-25(19)27(3,4)22(28)11-12-30(23,29)7/h17,20-24,36H,1,8-16H2,2-7H3,(H,32,33)(H,34,35)/t20-,21?,22-,23+,24-,28-,29+,30+,31-/m0/s1
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n/an/an/an/a 2.40E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529628
PNG
(CHEMBL4583726)
Show SMILES [H][C@]12[C@@H](CC[C@@]1(CC[C@]1(C)C2CC[C@]2([H])[C@@]3(C)CC\C(=N/O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NO)C(C)=C |r|
Show InChI InChI=1S/C30H48N2O3/c1-18(2)19-10-15-30(25(33)32-35)17-16-28(6)20(24(19)30)8-9-22-27(5)13-12-23(31-34)26(3,4)21(27)11-14-29(22,28)7/h19-22,24,34-35H,1,8-17H2,2-7H3,(H,32,33)/b31-23+/t19-,20?,21-,22+,24+,27-,28+,29+,30-/m0/s1
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n/an/an/an/a 6.80E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529629
PNG
(CHEMBL4472548)
Show SMILES [H][C@]1(CC[C@]2(C)[C@]([H])(CC=C3[C@]4([H])CC(C)(C)CC[C@@]4(CC[C@@]23C)C(=O)OC)[C@@]1(C)CCC(=O)NO)C(C)=C |r,t:9|
Show InChI InChI=1S/C31H49NO4/c1-20(2)21-11-14-30(7)24(28(21,5)13-12-25(33)32-35)10-9-22-23-19-27(3,4)15-17-31(23,26(34)36-8)18-16-29(22,30)6/h9,21,23-24,35H,1,10-19H2,2-8H3,(H,32,33)/t21-,23-,24+,28-,29+,30+,31-/m0/s1
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n/an/an/an/a 5.80E+3n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529631
PNG
(CHEMBL3754102)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(=O)NO |r,t:15|
Show InChI InChI=1S/C30H49NO3/c1-25(2)14-16-30(24(33)31-34)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(32)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,32,34H,9-18H2,1-7H3,(H,31,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1
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n/an/an/an/a 1.64E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(Homo sapiens (Human))
BDBM50529632
PNG
(CHEMBL4064111)
Show SMILES [H][C@@]12CC(C)(C)CC[C@@]1(CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=O |r,t:15|
Show InChI InChI=1S/C30H46O4/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)17-25)16-20(31)23-27(5)10-9-22(32)26(3,4)21(27)8-11-29(23,28)7/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19-,21-,22-,23+,27-,28+,29+,30-/m0/s1
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n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
Egl nine homolog 1/Prolyl hydroxylase EGLN2/Prolyl hydroxylase EGLN3/Transmembrane prolyl 4-hydroxylase


(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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Article
PubMed
n/an/an/an/a>5.00E+4n/an/an/an/a



Universit£ del Piemonte Orientale

Curated by ChEMBL


Assay Description
Inhibition of PHD (unknown origin) expressed in mouse NIH/3T3 cells harboring HRE-driven luciferase gene assessed as transactivation of HIF1alpha aft...


J Nat Prod 81: 2235-2243 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00514
BindingDB Entry DOI: 10.7270/Q2QZ2FD9
More data for this
Ligand-Target Pair
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