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Patent code US8969578

Compile Data Set for Download or QSAR
Found 13 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))		BDBM144578
PNG
(US8969578, 11)
Show SMILES OP(O)(=O)Oc1ccc(Cc2sc(nc2C(=O)Nc2ccc(cc2)C2CCCCC2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H29N2O5PS/c32-28(30-24-15-13-22(14-16-24)21-7-3-1-4-8-21)27-26(38-29(31-27)23-9-5-2-6-10-23)19-20-11-17-25(18-12-20)36-37(33,34)35/h2,5-6,9-18,21H,1,3-4,7-8,19H2,(H,30,32)(H2,33,34,35)
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n/an/a 7.75E+5n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM144580
PNG
(US8969578, 13)
Show SMILES COc1ccc(NC(=O)c2nc(oc2Cc2ccc(OP(O)(O)=O)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N2O7P/c1-31-19-13-9-18(10-14-19)25-23(27)22-21(32-24(26-22)17-5-3-2-4-6-17)15-16-7-11-20(12-8-16)33-34(28,29)30/h2-14H,15H2,1H3,(H,25,27)(H2,28,29,30)
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n/an/a 9.00E+4n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM20282
PNG
(4-{[4-(hexylcarbamoyl)-2-(naphthalen-1-yl)-1,3-oxa...)
Show SMILES CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C27H29N2O6P/c1-2-3-4-7-17-28-26(30)25-24(18-19-13-15-21(16-14-19)35-36(31,32)33)34-27(29-25)23-12-8-10-20-9-5-6-11-22(20)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,28,30)(H2,31,32,33)
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM144582
PNG
(US8969578, 17)
Show SMILES OP(O)(=O)Oc1ccc(Cc2oc(nc2C(=O)Nc2ccc(cc2)C2CCCCC2)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C33H31N2O6P/c36-32(34-26-17-15-24(16-18-26)23-7-2-1-3-8-23)31-30(21-22-13-19-27(20-14-22)41-42(37,38)39)40-33(35-31)29-12-6-10-25-9-4-5-11-28(25)29/h4-6,9-20,23H,1-3,7-8,21H2,(H,34,36)(H2,37,38,39)
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n/an/a 2.55E+5n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM144583
PNG
(US8969578, 18)
Show SMILES OP(O)(=O)Oc1ccc(Cc2sc(nc2C(=O)Nc2ccc(cc2)C2CCCCC2)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C33H31N2O5PS/c36-32(34-26-17-15-24(16-18-26)23-7-2-1-3-8-23)31-30(21-22-13-19-27(20-14-22)40-41(37,38)39)42-33(35-31)29-12-6-10-25-9-4-5-11-28(25)29/h4-6,9-20,23H,1-3,7-8,21H2,(H,34,36)(H2,37,38,39)
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n/an/a 3.50E+5n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM144584
PNG
(US8969578, 19)
Show SMILES COc1ccc(NC(=O)c2nc(sc2Cc2ccc(OP(O)(O)=O)cc2)-c2cccc3ccccc23)cc1
Show InChI InChI=1S/C28H23N2O6PS/c1-35-21-15-11-20(12-16-21)29-27(31)26-25(17-18-9-13-22(14-10-18)36-37(32,33)34)38-28(30-26)24-8-4-6-19-5-2-3-7-23(19)24/h2-16H,17H2,1H3,(H,29,31)(H2,32,33,34)
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n/an/a 1.25E+5n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396180
PNG
(CHEMBL2171897)
Show SMILES CCCCCCNC(=O)c1nc(sc1Cc1ccc(OP(O)(O)=O)cc1)-c1cccc2ccccc12
Show InChI InChI=1S/C27H29N2O5PS/c1-2-3-4-7-17-28-26(30)25-24(18-19-13-15-21(16-14-19)34-35(31,32)33)36-27(29-25)23-12-8-10-20-9-5-6-11-22(20)23/h5-6,8-16H,2-4,7,17-18H2,1H3,(H,28,30)(H2,31,32,33)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM144579
PNG
(US8969578, 12)
Show SMILES Oc1ccc(Cc2oc(nc2C(=O)Nc2ccc(cc2)C2CCCCC2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H28N2O3/c32-25-17-11-20(12-18-25)19-26-27(31-29(34-26)23-9-5-2-6-10-23)28(33)30-24-15-13-22(14-16-24)21-7-3-1-4-8-21/h2,5-6,9-18,21,32H,1,3-4,7-8,19H2,(H,30,33)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM144575
PNG
(US8969578, 7)
Show SMILES OC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C17H14NO7P/c19-17(20)15-14(24-16(18-15)12-4-2-1-3-5-12)10-11-6-8-13(9-7-11)25-26(21,22)23/h1-9H,10H2,(H,19,20)(H2,21,22,23)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM144581
PNG
(US8969578, 14)
Show SMILES COc1ccc(NC(=O)c2nc(sc2Cc2ccc(OP(O)(O)=O)cc2)-c2ccccc2)cc1
Show InChI InChI=1S/C24H21N2O6PS/c1-31-19-13-9-18(10-14-19)25-23(27)22-21(34-24(26-22)17-5-3-2-4-6-17)15-16-7-11-20(12-8-16)32-33(28,29)30/h2-14H,15H2,1H3,(H,25,27)(H2,28,29,30)
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n/an/a 2.80E+4n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM144576
PNG
(US8969578, 8)
Show SMILES CCCCCCNC(=O)c1nc(oc1Cc1ccc(OP(O)(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C23H27N2O6P/c1-2-3-4-8-15-24-22(26)21-20(30-23(25-21)18-9-6-5-7-10-18)16-17-11-13-19(14-12-17)31-32(27,28)29/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,24,26)(H2,27,28,29)
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n/an/a>1.00E+6n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM144577
PNG
(US8969578, 9)
Show SMILES CCCCCCNC(=O)c1nc(sc1Cc1ccc(OP(O)(O)=O)cc1)-c1ccccc1
Show InChI InChI=1S/C23H27N2O5PS/c1-2-3-4-8-15-24-22(26)21-20(32-23(25-21)18-9-6-5-7-10-18)16-17-11-13-19(14-12-17)30-31(27,28)29/h5-7,9-14H,2-4,8,15-16H2,1H3,(H,24,26)(H2,27,28,29)
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n/an/a 1.50E+5n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))		BDBM50396183
PNG
(CHEMBL2172015)
Show SMILES OP(O)(=O)Oc1ccc(Cc2oc(nc2C(=O)Nc2ccc(cc2)C2CCCCC2)-c2ccccc2)cc1
Show InChI InChI=1S/C29H29N2O6P/c32-28(30-24-15-13-22(14-16-24)21-7-3-1-4-8-21)27-26(36-29(31-27)23-9-5-2-6-10-23)19-20-11-17-25(18-12-20)37-38(33,34)35/h2,5-6,9-18,21H,1,3-4,7-8,19H2,(H,30,32)(H2,33,34,35)
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Central Florida Research Foundation, Inc.

US Patent


Assay Description
A screening process evaluated in vitro disruption of STAT3(dimer)-DNA formation through a previously published EMSA based assays, giving a valuable i...

US Patent US8969578 (2015)


BindingDB Entry DOI: 10.7270/Q2WD3Z84
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%