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PubMed code 26331426

Compile data set for download or QSAR
Found 11 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))
BDBM50127007
PNG
(CHEMBL3628038)
Show SMILES [#6]-[#6](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]-[#6](=O)-[#8]-[#6]-[#6]-1=[#6]-2-[#6@@H](-[#8])-[#6]-[#6@@H](-[#6])[C@]3([#8])[#6]-[#6][C@@]([#6])([#8]3)\[#6]=[#6]-2\[#8]-[#6]-1=O |r,c:13,28|
Show InChI InChI=1S/C25H36O7/c1-15(2)7-6-8-16(3)11-21(27)30-14-18-22-19(26)12-17(4)25(29)10-9-24(5,32-25)13-20(22)31-23(18)28/h7,13,16-17,19,26,29H,6,8-12,14H2,1-5H3/b20-13+/t16?,17-,19+,24-,25+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U251MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127009
PNG
(CHEMBL3628243)
Show SMILES C\C=C(/C)C(=O)OCC1=C2[C@H](C[C@@H](C)[C@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O)OC(=O)C(\C)=C\C |r,c:8,22|
Show InChI InChI=1S/C25H32O8/c1-7-14(3)21(26)30-13-17-20-18(31-22(27)15(4)8-2)11-16(5)25(29)10-9-24(6,33-25)12-19(20)32-23(17)28/h7-8,12,16,18,29H,9-11,13H2,1-6H3/b14-7+,15-8+,19-12+/t16-,18+,24-,25+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U251MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127008
PNG
(CHEMBL3628241)
Show SMILES C[C@@H]1C[C@H](O)C2=C(COC(=O)CCc3ccccc3)C(=O)O\C2=C\[C@@]2(C)CC[C@]1(O)O2 |r,c:5,24|
Show InChI InChI=1S/C24H28O7/c1-15-12-18(25)21-17(14-29-20(26)9-8-16-6-4-3-5-7-16)22(27)30-19(21)13-23(2)10-11-24(15,28)31-23/h3-7,13,15,18,25,28H,8-12,14H2,1-2H3/b19-13+/t15-,18+,23-,24+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U251MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127006
PNG
(CHEMBL3628036)
Show SMILES [#6]-[#6@@H]1-[#6]-[#6@H](-[#8])-[#6]2=[#6](-[#6]-[#8]-[#6](=O)\[#6]=[#6](/[#6])-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]\[#6]-2=[#6]\[C@@]2([#6])[#6]-[#6][C@]1([#8])[#8]2 |r,c:5,24|
Show InChI InChI=1S/C25H34O7/c1-15(2)7-6-8-16(3)11-21(27)30-14-18-22-19(26)12-17(4)25(29)10-9-24(5,32-25)13-20(22)31-23(18)28/h7,11,13,17,19,26,29H,6,8-10,12,14H2,1-5H3/b16-11+,20-13+/t17-,19+,24-,25+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U251MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127010
PNG
(CHEMBL3628244)
Show SMILES CO[C@@]12CC[C@@](C)(O1)\C=C1\OC(=O)C(COC(=O)C(\C)=C\C)=C1[C@H](C[C@H]2C)OC(=O)C(\C)=C\C |r,c:22,t:9|
Show InChI InChI=1S/C26H34O8/c1-8-15(3)22(27)31-14-18-21-19(32-23(28)16(4)9-2)12-17(5)26(30-7)11-10-25(6,34-26)13-20(21)33-24(18)29/h8-9,13,17,19H,10-12,14H2,1-7H3/b15-8+,16-9+,20-13+/t17-,19+,25-,26+/m1/s1
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n/an/a 500n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U251MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127003
PNG
(CHEMBL2062865)
Show SMILES C\C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@@](C)(O2)\C=C2\OC(=O)C(COC(C)=O)=C12 |r,t:19,29|
Show InChI InChI=1S/C22H28O8/c1-6-12(2)19(24)28-16-9-13(3)22(26)8-7-21(5,30-22)10-17-18(16)15(20(25)29-17)11-27-14(4)23/h6,10,13,16,26H,7-9,11H2,1-5H3/b12-6+,17-10+/t13-,16+,21-,22+/m1/s1
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n/an/a 2.20E+3n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U251MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127003
PNG
(CHEMBL2062865)
Show SMILES C\C=C(/C)C(=O)O[C@H]1C[C@@H](C)[C@]2(O)CC[C@@](C)(O2)\C=C2\OC(=O)C(COC(C)=O)=C12 |r,t:19,29|
Show InChI InChI=1S/C22H28O8/c1-6-12(2)19(24)28-16-9-13(3)22(26)8-7-21(5,30-22)10-17-18(16)15(20(25)29-17)11-27-14(4)23/h6,10,13,16,26H,7-9,11H2,1-5H3/b12-6+,17-10+/t13-,16+,21-,22+/m1/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U373MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127005
PNG
(CHEMBL3628032)
Show SMILES C\C=C(/C)C(=O)OCC1=C2[C@@H](O)C[C@@H](C)[C@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O |r,c:8,23|
Show InChI InChI=1S/C20H26O7/c1-5-11(2)17(22)25-10-13-16-14(21)8-12(3)20(24)7-6-19(4,27-20)9-15(16)26-18(13)23/h5,9,12,14,21,24H,6-8,10H2,1-4H3/b11-5+,15-9+/t12-,14+,19-,20+/m1/s1
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n/an/a 2.40E+3n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U373MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127005
PNG
(CHEMBL3628032)
Show SMILES C\C=C(/C)C(=O)OCC1=C2[C@@H](O)C[C@@H](C)[C@]3(O)CC[C@@](C)(O3)\C=C2\OC1=O |r,c:8,23|
Show InChI InChI=1S/C20H26O7/c1-5-11(2)17(22)25-10-13-16-14(21)8-12(3)20(24)7-6-19(4,27-20)9-15(16)26-18(13)23/h5,9,12,14,21,24H,6-8,10H2,1-4H3/b11-5+,15-9+/t12-,14+,19-,20+/m1/s1
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n/an/a 2.60E+3n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U251MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127004
PNG
(CHEMBL2062868 | Vernolide-B)
Show SMILES CO[C@@]12CC[C@@](C)(O1)\C=C1\OC(=O)C(COC(C)=O)=C1[C@H](C[C@H]2C)OC(=O)C(\C)=C\C |r,c:19,t:9|
Show InChI InChI=1S/C23H30O8/c1-7-13(2)20(25)29-17-10-14(3)23(27-6)9-8-22(5,31-23)11-18-19(17)16(21(26)30-18)12-28-15(4)24/h7,11,14,17H,8-10,12H2,1-6H3/b13-7+,18-11+/t14-,17+,22-,23+/m1/s1
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n/an/a 3.20E+3n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U251MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50127004
PNG
(CHEMBL2062868 | Vernolide-B)
Show SMILES CO[C@@]12CC[C@@](C)(O1)\C=C1\OC(=O)C(COC(C)=O)=C1[C@H](C[C@H]2C)OC(=O)C(\C)=C\C |r,c:19,t:9|
Show InChI InChI=1S/C23H30O8/c1-7-13(2)20(25)29-17-10-14(3)23(27-6)9-8-22(5,31-23)11-18-19(17)16(21(26)30-18)12-28-15(4)24/h7,11,14,17H,8-10,12H2,1-6H3/b13-7+,18-11+/t14-,17+,22-,23+/m1/s1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Hawaii at Hilo

Curated by ChEMBL


Assay Description
Inhibition of Stat3 dimer DNA binding activity in human U373MG cells nuclear extract after 1.5 hrs by EMSA using radiolabeled probe hSIE


J Med Chem 58: 7734-48 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00686
BindingDB Entry DOI: 10.7270/Q2Z321GS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%