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PubMed code 29140705

Compile data set for download or QSAR
Found 26 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279531
PNG
((7Beta-Hydroxy)-Morroniside | CHEBI:80852 | Morron...)
Show SMILES [H][C@@]1(O[C@@H]2OC=C(C(=O)OC)[C@@]3([H])C[C@H](O)O[C@@H](C)[C@@]23[H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:5|
Show InChI InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10+,11+,12+,13-,14+,16-,17-/m0/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279545
PNG
((7Alpha-Hydroxy)-Morroniside | CHEMBL2152455)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@@H](O)O[C@@H](C)[C@@]12[H] |r,t:16|
Show InChI InChI=1S/C17H26O11/c1-6-11-7(3-10(19)26-6)8(15(23)24-2)5-25-16(11)28-17-14(22)13(21)12(20)9(4-18)27-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9+,10-,11+,12+,13-,14+,16-,17-/m0/s1
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n/an/a 7.00E+3n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279554
PNG
(CHEMBL4174708)
Show SMILES [H][C@@]1(C[C@]2([H])C(=CO[C@@]([H])(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])[C@H](C)O1)C(=O)OC)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@]2([H])OC=C(C(=O)OC)[C@@]3([H])C[C@H](OC)O[C@@H](C)[C@@]23[H])[C@@H]1O |r,c:5,t:46|
Show InChI InChI=1S/C35H52O20/c1-12-22-15(7-20(44-4)49-12)17(30(42)45-5)10-48-33(22)55-35-28(41)29(25(38)19(9-36)52-35)53-21-8-16-18(31(43)46-6)11-47-32(23(16)13(2)50-21)54-34-27(40)26(39)24(37)14(3)51-34/h10-16,19-29,32-41H,7-9H2,1-6H3/t12-,13-,14+,15+,16+,19+,20+,21-,22+,23+,24+,25+,26-,27+,28+,29-,32-,33-,34-,35-/m0/s1
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n/an/a 1.19E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279550
PNG
(CHEMBL4159173)
Show SMILES [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](CO[C@@H]3C[C@]4([H])C(=CO[C@@]([H])(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4([H])[C@H](C)O3)C(=O)OC)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:22,59|
Show InChI InChI=1S/C34H50O20/c1-11-17(36)5-13-15(29(43)45-3)8-48-31(21(11)13)53-34-28(42)26(40)24(38)19(52-34)10-47-20-6-14-16(30(44)46-4)9-49-32(22(14)12(2)50-20)54-33-27(41)25(39)23(37)18(7-35)51-33/h8-9,11-14,17-28,31-42H,5-7,10H2,1-4H3/t11-,12-,13+,14+,17-,18+,19+,20-,21+,22+,23+,24+,25-,26-,27+,28+,31-,32-,33-,34-/m0/s1
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n/an/a 1.22E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279529
PNG
(CHEBI:15771 | Loganin)
Show SMILES [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:26|
Show InChI InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7+,9-,10+,11+,12+,13-,14+,16-,17-/m0/s1
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n/an/a 1.40E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279530
PNG
(CHEMBL4175770)
Show SMILES [H][C@]1(C[C@]2([H])C(=CO[C@@]([H])(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])[C@H](C)O1)C(=O)OC)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@]1([H])OC=C(C(=O)OC)[C@@]2([H])C[C@@H](OC)O[C@@H](C)[C@@]12[H] |r,c:5,t:50|
Show InChI InChI=1S/C35H52O21/c1-12-22-14(6-20(45-3)50-12)16(30(43)46-4)10-49-33(22)56-35-29(27(41)25(39)19(9-37)53-35)54-21-7-15-17(31(44)47-5)11-48-32(23(15)13(2)51-21)55-34-28(42)26(40)24(38)18(8-36)52-34/h10-15,18-29,32-42H,6-9H2,1-5H3/t12-,13-,14+,15+,18+,19+,20-,21+,22+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1
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n/an/a 1.94E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279552
PNG
(CHEMBL4164481)
Show SMILES [H][C@]1(C[C@]2([H])C(=CO[C@@]([H])(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])[C@H](C)O1)C(=O)OC)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@]1([H])OC=C(C(=O)OC)[C@@]2([H])C[C@H](OC)O[C@@H](C)[C@@]12[H] |r,c:5,t:50|
Show InChI InChI=1S/C35H52O21/c1-12-22-14(6-20(45-3)50-12)16(30(43)46-4)10-49-33(22)56-35-29(27(41)25(39)19(9-37)53-35)54-21-7-15-17(31(44)47-5)11-48-32(23(15)13(2)51-21)55-34-28(42)26(40)24(38)18(8-36)52-34/h10-15,18-29,32-42H,6-9H2,1-5H3/t12-,13-,14+,15+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1
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n/an/a 2.19E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279567
PNG
(7-Epi-Loganin | 8-Epiloganin | CHEMBL1081586)
Show SMILES [H][C@]12C[C@H](O)[C@@H](C)[C@@]1([H])[C@H](O[C@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:26|
Show InChI InChI=1S/C17H26O10/c1-6-9(19)3-7-8(15(23)24-2)5-25-16(11(6)7)27-17-14(22)13(21)12(20)10(4-18)26-17/h5-7,9-14,16-22H,3-4H2,1-2H3/t6-,7-,9+,10-,11-,12-,13+,14-,16+,17+/m1/s1
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n/an/a 2.29E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 2.48E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279546
PNG
(CHEMBL1209872)
Show SMILES [H][C@@]1(O[C@@H]2OC=C(C(=O)OC)[C@@]3([H])C[C@H](OC)O[C@@H](C)[C@@]23[H])O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:5|
Show InChI InChI=1S/C18H28O11/c1-7-12-8(4-11(24-2)27-7)9(16(23)25-3)6-26-17(12)29-18-15(22)14(21)13(20)10(5-19)28-18/h6-8,10-15,17-22H,4-5H2,1-3H3/t7-,8+,10+,11+,12+,13+,14-,15+,17-,18-/m0/s1
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n/an/a 2.48E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279542
PNG
(CHEMBL4167909)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO[C@@H]3C[C@]4([H])C(=CO[C@@]([H])(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4([H])[C@H](C)O3)C(=O)OC)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@@H](OC)O[C@@H](C)[C@@]12[H] |r,c:12,t:49|
Show InChI InChI=1S/C35H52O21/c1-12-22-14(6-20(45-3)51-12)16(30(43)46-4)9-49-32(22)56-35-29(42)27(40)25(38)19(54-35)11-48-21-7-15-17(31(44)47-5)10-50-33(23(15)13(2)52-21)55-34-28(41)26(39)24(37)18(8-36)53-34/h9-10,12-15,18-29,32-42H,6-8,11H2,1-5H3/t12-,13-,14+,15+,18+,19+,20-,21-,22+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1
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n/an/a 2.76E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279553
PNG
(CHEMBL4160655)
Show SMILES [H][C@@]1(C[C@]2([H])C(=CO[C@@]([H])(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])[C@H](C)O1)C(=O)OC)O[C@H]1[C@H](O)[C@@H](CO)O[C@@H](O[C@]2([H])OC=C(C(=O)OC)[C@@]3([H])C[C@@H](OC)O[C@@H](C)[C@@]23[H])[C@@H]1O |r,c:5,t:46|
Show InChI InChI=1S/C35H52O20/c1-12-22-15(7-20(44-4)49-12)17(30(42)45-5)10-48-33(22)55-35-28(41)29(25(38)19(9-36)52-35)53-21-8-16-18(31(43)46-6)11-47-32(23(16)13(2)50-21)54-34-27(40)26(39)24(37)14(3)51-34/h10-16,19-29,32-41H,7-9H2,1-6H3/t12-,13-,14+,15+,16+,19+,20-,21-,22+,23+,24+,25+,26-,27+,28+,29-,32-,33-,34-,35-/m0/s1
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n/an/a 2.97E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279547
PNG
(CHEMBL2152454)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@@H](OC)O[C@@H](C)[C@@]12[H] |r,t:16|
Show InChI InChI=1S/C18H28O11/c1-7-12-8(4-11(24-2)27-7)9(16(23)25-3)6-26-17(12)29-18-15(22)14(21)13(20)10(5-19)28-18/h6-8,10-15,17-22H,4-5H2,1-3H3/t7-,8+,10+,11-,12+,13+,14-,15+,17-,18-/m0/s1
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n/an/a 3.25E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279533
PNG
(CHEMBL4163373)
Show SMILES [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O[C@]1([H])C[C@]3([H])C(=CO[C@@]([H])(O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@]3([H])[C@H](C)O1)C(=O)OC)OC=C2C(=O)OC |r,c:30,60|
Show InChI InChI=1S/C34H50O20/c1-11-17(37)5-13-15(29(43)45-3)9-47-31(21(11)13)54-34-28(26(41)24(39)19(8-36)51-34)52-20-6-14-16(30(44)46-4)10-48-32(22(14)12(2)49-20)53-33-27(42)25(40)23(38)18(7-35)50-33/h9-14,17-28,31-42H,5-8H2,1-4H3/t11-,12-,13+,14+,17-,18+,19+,20+,21+,22+,23+,24+,25-,26-,27+,28+,31-,32-,33-,34-/m0/s1
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n/an/a 4.05E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279551
PNG
(CHEMBL4172359)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO[C@@H]3C[C@]4([H])C(=CO[C@@]([H])(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4([H])[C@H](C)O3)C(=O)OC)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@H](OC)O[C@@H](C)[C@@]12[H] |r,c:12,t:49|
Show InChI InChI=1S/C35H52O21/c1-12-22-14(6-20(45-3)51-12)16(30(43)46-4)9-49-32(22)56-35-29(42)27(40)25(38)19(54-35)11-48-21-7-15-17(31(44)47-5)10-50-33(23(15)13(2)52-21)55-34-28(41)26(39)24(37)18(8-36)53-34/h9-10,12-15,18-29,32-42H,6-8,11H2,1-5H3/t12-,13-,14+,15+,18+,19+,20+,21-,22+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1
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n/an/a 4.30E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279569
PNG
(CHEMBL4171260)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO[C@H]3C[C@]4([H])C(=CO[C@@]([H])(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4([H])[C@H](C)O3)C(=O)OC)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@@H](OC)O[C@@H](C)[C@@]12[H] |r,c:12,t:49|
Show InChI InChI=1S/C35H52O21/c1-12-22-14(6-20(45-3)51-12)16(30(43)46-4)9-49-32(22)56-35-29(42)27(40)25(38)19(54-35)11-48-21-7-15-17(31(44)47-5)10-50-33(23(15)13(2)52-21)55-34-28(41)26(39)24(37)18(8-36)53-34/h9-10,12-15,18-29,32-42H,6-8,11H2,1-5H3/t12-,13-,14+,15+,18+,19+,20-,21+,22+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1
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n/an/a 4.70E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279549
PNG
(CHEMBL4174085)
Show SMILES [H][C@]12C[C@H](O)[C@H](C)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](CO)[C@@H](O[C@@]3([H])C[C@]4([H])C(=CO[C@@]([H])(O[C@@H]5O[C@H](C)[C@@H](O)[C@H](O)[C@H]5O)[C@]4([H])[C@H](C)O3)C(=O)OC)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:25,59|
Show InChI InChI=1S/C34H50O19/c1-11-18(36)6-14-16(29(42)44-4)9-46-31(21(11)14)52-34-27(41)25(39)28(19(8-35)50-34)51-20-7-15-17(30(43)45-5)10-47-32(22(15)12(2)48-20)53-33-26(40)24(38)23(37)13(3)49-33/h9-15,18-28,31-41H,6-8H2,1-5H3/t11-,12-,13+,14+,15+,18-,19+,20-,21+,22+,23+,24-,25+,26+,27+,28+,31-,32-,33-,34-/m0/s1
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n/an/a 5.26E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279556
PNG
(CHEMBL4167273)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@H](OCC)O[C@@H](C)[C@@]12[H] |r,t:16|
Show InChI InChI=1S/C19H30O11/c1-4-26-12-5-9-10(17(24)25-3)7-27-18(13(9)8(2)28-12)30-19-16(23)15(22)14(21)11(6-20)29-19/h7-9,11-16,18-23H,4-6H2,1-3H3/t8-,9+,11+,12+,13+,14+,15-,16+,18-,19-/m0/s1
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n/an/a 6.70E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279548
PNG
(CHEMBL4166828)
Show SMILES [H][C@]12C[C@H](O[C@@]3([H])C[C@]4([H])C(=CO[C@@]([H])(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4([H])[C@@H](C)O3)C(=O)OC)[C@H](C)[C@@]1([H])[C@]([H])(O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC=C2C(=O)OC |r,c:10,60|
Show InChI InChI=1S/C34H50O20/c1-11-17(5-13-15(29(43)45-3)9-47-31(21(11)13)53-33-27(41)25(39)23(37)18(7-35)51-33)50-20-6-14-16(30(44)46-4)10-48-32(22(14)12(2)49-20)54-34-28(42)26(40)24(38)19(8-36)52-34/h9-14,17-28,31-42H,5-8H2,1-4H3/t11-,12+,13+,14+,17-,18+,19+,20-,21+,22+,23+,24+,25-,26-,27+,28+,31-,32-,33-,34-/m0/s1
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n/an/a 7.19E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279566
PNG
(CHEMBL4164056)
Show SMILES [H][C@@]1(C[C@]2([H])C(=CO[C@@]([H])(O[C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])[C@H](C)O1)C(=O)OC)O[C@@H]1[C@@H](CO)O[C@@H](O[C@]2([H])OC=C(C(=O)OC)[C@@]3([H])C[C@H](OC)O[C@@H](C)[C@@]23[H])[C@H](O)[C@H]1O |r,c:5,t:44|
Show InChI InChI=1S/C35H52O20/c1-12-22-15(7-20(44-4)49-12)17(30(42)45-5)10-48-33(22)55-35-28(41)26(39)29(19(9-36)52-35)53-21-8-16-18(31(43)46-6)11-47-32(23(16)13(2)50-21)54-34-27(40)25(38)24(37)14(3)51-34/h10-16,19-29,32-41H,7-9H2,1-6H3/t12-,13-,14+,15+,16+,19+,20+,21-,22+,23+,24+,25-,26+,27+,28+,29+,32-,33-,34-,35-/m0/s1
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n/an/a 7.91E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279544
PNG
(CHEBI:80907 | Sweroside)
Show SMILES [H][C@@]1(O[C@@H]2OC=C3C(=O)OCC[C@@]3([H])[C@H]2C=C)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r,t:5|
Show InChI InChI=1S/C16H22O9/c1-2-7-8-3-4-22-14(21)9(8)6-23-15(7)25-16-13(20)12(19)11(18)10(5-17)24-16/h2,6-8,10-13,15-20H,1,3-5H2/t7-,8+,10-,11-,12+,13-,15+,16+/m1/s1
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n/an/a 8.95E+4n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279565
PNG
(CHEMBL4169822)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@H](OC[C@H]3O[C@@H](O[C@]4([H])OC=C(C(=O)OC)[C@@]5([H])C[C@@H](OCC)O[C@@H](C)[C@@]45[H])[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H](C)[C@@]12[H] |r,t:16,35|
Show InChI InChI=1S/C36H54O21/c1-6-48-21-7-15-17(31(44)46-4)10-51-34(23(15)13(2)52-21)57-36-30(43)28(41)26(39)20(55-36)12-49-22-8-16-18(32(45)47-5)11-50-33(24(16)14(3)53-22)56-35-29(42)27(40)25(38)19(9-37)54-35/h10-11,13-16,19-30,33-43H,6-9,12H2,1-5H3/t13-,14-,15+,16+,19+,20+,21-,22+,23+,24+,25+,26+,27-,28-,29+,30+,33-,34-,35-,36-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279555
PNG
(CHEMBL4168853)
Show SMILES [H][C@@]1(C[C@]2([H])C(=CO[C@@]([H])(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@]2([H])[C@H](C)O1)C(=O)OC)O[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@]1([H])OC=C(C(=O)OC)[C@@]2([H])C[C@H](OC)O[C@@H](C)[C@@]12[H] |r,c:5,t:50|
Show InChI InChI=1S/C35H52O21/c1-12-22-14(6-20(45-3)50-12)16(30(43)46-4)10-49-33(22)56-35-29(27(41)25(39)19(9-37)53-35)54-21-7-15-17(31(44)47-5)11-48-32(23(15)13(2)51-21)55-34-28(42)26(40)24(38)18(8-36)52-34/h10-15,18-29,32-42H,6-9H2,1-5H3/t12-,13-,14+,15+,18+,19+,20+,21-,22+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279543
PNG
(CHEMBL4176712)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO[C@H]3C[C@]4([H])C(=CO[C@@]([H])(O[C@@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@H]5O)[C@]4([H])[C@H](C)O3)C(=O)OC)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@H](OC)O[C@@H](C)[C@@]12[H] |r,c:12,t:49|
Show InChI InChI=1S/C35H52O21/c1-12-22-14(6-20(45-3)51-12)16(30(43)46-4)9-49-32(22)56-35-29(42)27(40)25(38)19(54-35)11-48-21-7-15-17(31(44)47-5)10-50-33(23(15)13(2)52-21)55-34-28(41)26(39)24(37)18(8-36)53-34/h9-10,12-15,18-29,32-42H,6-8,11H2,1-5H3/t12-,13-,14+,15+,18+,19+,20+,21+,22+,23+,24+,25+,26-,27-,28+,29+,32-,33-,34-,35-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279532
PNG
(CHEMBL4177450)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@H](OC[C@H]3O[C@@H](O[C@]4([H])OC=C(C(=O)OC)[C@@]5([H])C[C@H](OCC)O[C@@H](C)[C@@]45[H])[C@H](O)[C@@H](O)[C@@H]3O)O[C@@H](C)[C@@]12[H] |r,t:16,35|
Show InChI InChI=1S/C36H54O21/c1-6-48-21-7-15-17(31(44)46-4)10-51-34(23(15)13(2)52-21)57-36-30(43)28(41)26(39)20(55-36)12-49-22-8-16-18(32(45)47-5)11-50-33(24(16)14(3)53-22)56-35-29(42)27(40)25(38)19(9-37)54-35/h10-11,13-16,19-30,33-43H,6-9,12H2,1-5H3/t13-,14-,15+,16+,19+,20+,21+,22+,23+,24+,25+,26+,27-,28-,29+,30+,33-,34-,35-,36-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50279568
PNG
(CHEMBL4160015)
Show SMILES [H][C@@]1(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)OC=C(C(=O)OC)[C@@]2([H])C[C@@H](OCC)O[C@@H](C)[C@@]12[H] |r,t:16|
Show InChI InChI=1S/C19H30O11/c1-4-26-12-5-9-10(17(24)25-3)7-27-18(13(9)8(2)28-12)30-19-16(23)15(22)14(21)11(6-20)29-19/h7-9,11-16,18-23H,4-6H2,1-3H3/t8-,9+,11+,12-,13+,14+,15-,16+,18-,19-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Beijing University of Chinese Medicine

Curated by ChEMBL


Assay Description
Inhibition of IL-6-Induced STAT3 activation (unknown origin) expressed in human HepG2 cells expressing pSTAT3-luciferase pre-incubated for 1 hr befor...

J Nat Prod 80: 3103-3111 (2017)


Article DOI: 10.1021/acs.jnatprod.6b01127
BindingDB Entry DOI: 10.7270/Q2QV3Q11
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%