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PubChem AID 1409

Compile data set for download or QSAR
Found 53 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
STAT3


(Homo sapiens)
BDBM43542
PNG
(MLS000760904 | N-[5-(diethylsulfamoyl)-2-(4-morpho...)
Show SMILES CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc(nc3ccccc23)-c2ccccn2)c1
Show InChI InChI=1S/C29H31N5O4S/c1-3-34(4-2)39(36,37)21-12-13-28(33-15-17-38-18-16-33)27(19-21)32-29(35)23-20-26(25-11-7-8-14-30-25)31-24-10-6-5-9-22(23)24/h5-14,19-20H,3-4,15-18H2,1-2H3,(H,32,35)
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n/an/a 9.73E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM36973
PNG
(1-[[5-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-...)
Show SMILES Cc1ccc(cc1)-c1csc2ncnc(Sc3nnc(CN4CCCCCC4=O)o3)c12
Show InChI InChI=1S/C22H21N5O2S2/c1-14-6-8-15(9-7-14)16-12-30-20-19(16)21(24-13-23-20)31-22-26-25-17(29-22)11-27-10-4-2-3-5-18(27)28/h6-9,12-13H,2-5,10-11H2,1H3
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n/an/a 1.22E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43535
PNG
((6,7-dimethoxyquinazolin-4-yl)-homoveratryl-amine ...)
Show SMILES COc1ccc(CCNc2ncnc3cc(OC)c(OC)cc23)cc1OC
Show InChI InChI=1S/C20H23N3O4/c1-24-16-6-5-13(9-17(16)25-2)7-8-21-20-14-10-18(26-3)19(27-4)11-15(14)22-12-23-20/h5-6,9-12H,7-8H2,1-4H3,(H,21,22,23)
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n/an/a 1.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43544
PNG
(3-(2,3-dihydroindol-1-ylsulfonyl)-N'-(phenylcarbon...)
Show SMILES O=C(NNC(=O)c1cccc(c1)S(=O)(=O)N1CCc2ccccc12)c1ccccc1
Show InChI InChI=1S/C22H19N3O4S/c26-21(17-8-2-1-3-9-17)23-24-22(27)18-10-6-11-19(15-18)30(28,29)25-14-13-16-7-4-5-12-20(16)25/h1-12,15H,13-14H2,(H,23,26)(H,24,27)
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n/an/a 1.59E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43503
PNG
(4-(4-benzylpiperazin-1-yl)-8-methyl-5H-pyrimido[5,...)
Show SMILES Cc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(Cc2ccccc2)CC1
Show InChI InChI=1S/C22H23N5/c1-16-7-8-19-18(13-16)20-21(25-19)22(24-15-23-20)27-11-9-26(10-12-27)14-17-5-3-2-4-6-17/h2-8,13,15,25H,9-12,14H2,1H3
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n/an/a 1.62E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43523
PNG
(4-[4-[[(4-chlorophenyl)thio]methyl]benzoyl]piperaz...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C21H23ClN2O3S/c1-2-27-21(26)24-13-11-23(12-14-24)20(25)17-5-3-16(4-6-17)15-28-19-9-7-18(22)8-10-19/h3-10H,2,11-15H2,1H3
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n/an/a 1.65E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43537
PNG
((7-chloroquinazolin-4-yl)-veratryl-amine | 7-chlor...)
Show SMILES COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1OC
Show InChI InChI=1S/C17H16ClN3O2/c1-22-15-6-3-11(7-16(15)23-2)9-19-17-13-5-4-12(18)8-14(13)20-10-21-17/h3-8,10H,9H2,1-2H3,(H,19,20,21)
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n/an/a>1.86E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43518
PNG
(2-[(E)-1-(benzenesulfonyl)-2-(3-methylphenyl)ethen...)
Show SMILES Cc1cccc(\C=C(/c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)c1
Show InChI InChI=1S/C22H18N2O2S/c1-16-8-7-9-17(14-16)15-21(27(25,26)18-10-3-2-4-11-18)22-23-19-12-5-6-13-20(19)24-22/h2-15H,1H3,(H,23,24)/b21-15+
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM31063
PNG
(2-(methylsulfonyl)-4-phenyl-6-(trifluoromethyl)pyr...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C12H9F3N2O2S/c1-20(18,19)11-16-9(8-5-3-2-4-6-8)7-10(17-11)12(13,14)15/h2-7H,1H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43528
PNG
((4-chlorophenyl)-[4-(7-chloro-4-quinolinyl)-1-pipe...)
Show SMILES Clc1ccc(cc1)C(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12
Show InChI InChI=1S/C20H17Cl2N3O/c21-15-3-1-14(2-4-15)20(26)25-11-9-24(10-12-25)19-7-8-23-18-13-16(22)5-6-17(18)19/h1-8,13H,9-12H2
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM38079
PNG
(5-(4-fluorophenyl)-4-(1-methyltetrazol-5-yl)sulfan...)
Show SMILES Cn1nnnc1Sc1ncnc2scc(-c3ccc(F)cc3)c12
Show InChI InChI=1S/C14H9FN6S2/c1-21-14(18-19-20-21)23-13-11-10(6-22-12(11)16-7-17-13)8-2-4-9(15)5-3-8/h2-7H,1H3
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43524
PNG
(4-(4-fluorophenyl)-2-(methylsulfonyl)-6-(trifluoro...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(F)cc1
Show InChI InChI=1S/C12H8F4N2O2S/c1-21(19,20)11-17-9(6-10(18-11)12(14,15)16)7-2-4-8(13)5-3-7/h2-6H,1H3
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The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43534
PNG
(MLS000692834 | N-[[(Z)-2-bromanyl-3-phenyl-prop-2-...)
Show SMILES Cc1c([nH][nH]c1=O)C(=O)NN=CC(Br)=Cc1ccccc1
Show InChI InChI=1S/C14H13BrN4O2/c1-9-12(17-19-13(9)20)14(21)18-16-8-11(15)7-10-5-3-2-4-6-10/h2-8H,1H3,(H,18,21)(H2,17,19,20)
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n/an/a 2.38E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43506
PNG
(3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulf...)
Show SMILES CCOC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C16H15F3N2O4S/c1-2-25-14(22)8-9-26(23,24)15-20-12(11-6-4-3-5-7-11)10-13(21-15)16(17,18)19/h3-7,10H,2,8-9H2,1H3
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n/an/a 2.42E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43531
PNG
(4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyri...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cc(C)on1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O6S/c1-12-9-18(28-34-12)27-19(29)5-4-8-35(30,31)20-25-14(11-17(26-20)21(22,23)24)13-6-7-15(32-2)16(10-13)33-3/h6-7,9-11H,4-5,8H2,1-3H3,(H,27,28,29)
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n/an/a 2.48E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43513
PNG
(3-(4-Phenyl-6-trifluoromethyl-pyrimidine-2-sulfony...)
Show SMILES COC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C15H13F3N2O4S/c1-24-13(21)7-8-25(22,23)14-19-11(10-5-3-2-4-6-10)9-12(20-14)15(16,17)18/h2-6,9H,7-8H2,1H3
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n/an/a 2.55E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM36898
PNG
(MLS000078404 | SMR000040621 | [4-(8-bromanyl-5H-py...)
Show SMILES Brc1ccc2[nH]c3c(ncnc3c2c1)N1CCN(CC1)C(=O)c1ccco1
Show InChI InChI=1S/C19H16BrN5O2/c20-12-3-4-14-13(10-12)16-17(23-14)18(22-11-21-16)24-5-7-25(8-6-24)19(26)15-2-1-9-27-15/h1-4,9-11,23H,5-8H2
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The Scripps Research Institute Molecular Screening Center

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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43538
PNG
(1-methyl-2-[4-(4-nitrophenyl)piperazin-1-yl]carbon...)
Show SMILES Cn1c(cc2c1c1ccccc1[nH]c2=O)C(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C23H21N5O4/c1-25-20(14-18-21(25)17-4-2-3-5-19(17)24-22(18)29)23(30)27-12-10-26(11-13-27)15-6-8-16(9-7-15)28(31)32/h2-9,14H,10-13H2,1H3,(H,24,29)
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n/an/a 2.87E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43507
PNG
(4-(4-{[4-(2-methoxyphenyl)-6-(trifluoromethyl)-2-p...)
Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)N1CCOCC1)C(F)(F)F
Show InChI InChI=1S/C20H22F3N3O5S/c1-30-16-6-3-2-5-14(16)15-13-17(20(21,22)23)25-19(24-15)32(28,29)12-4-7-18(27)26-8-10-31-11-9-26/h2-3,5-6,13H,4,7-12H2,1H3
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n/an/a 3.09E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43525
PNG
(4-[4-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyri...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccc(O)c1)C(F)(F)F
Show InChI InChI=1S/C23H22F3N3O6S/c1-34-18-9-8-14(11-19(18)35-2)17-13-20(23(24,25)26)29-22(28-17)36(32,33)10-4-7-21(31)27-15-5-3-6-16(30)12-15/h3,5-6,8-9,11-13,30H,4,7,10H2,1-2H3,(H,27,31)
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n/an/a 3.10E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43509
PNG
(2-mesyl-4-(2-methoxyphenyl)-6-(trifluoromethyl)pyr...)
Show SMILES COc1ccccc1-c1cc(nc(n1)S(C)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C13H11F3N2O3S/c1-21-10-6-4-3-5-8(10)9-7-11(13(14,15)16)18-12(17-9)22(2,19)20/h3-7H,1-2H3
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n/an/a 3.18E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43453
PNG
(MLS000729576 | N-(2-chloranylpyridin-3-yl)-4-[4-(3...)
Show SMILES COc1ccc(cc1OC)-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F
Show InChI InChI=1S/C22H20ClF3N4O5S/c1-34-16-8-7-13(11-17(16)35-2)15-12-18(22(24,25)26)30-21(29-15)36(32,33)10-4-6-19(31)28-14-5-3-9-27-20(14)23/h3,5,7-9,11-12H,4,6,10H2,1-2H3,(H,28,31)
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n/an/a 3.26E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43454
PNG
(MLS000729575 | N-(2-chloranylpyridin-3-yl)-4-[4-(2...)
Show SMILES COc1ccccc1-c1cc(nc(n1)S(=O)(=O)CCCC(=O)Nc1cccnc1Cl)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N4O4S/c1-33-16-8-3-2-6-13(16)15-12-17(21(23,24)25)29-20(28-15)34(31,32)11-5-9-18(30)27-14-7-4-10-26-19(14)22/h2-4,6-8,10,12H,5,9,11H2,1H3,(H,27,30)
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n/an/a 3.46E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43540
PNG
(4-[(E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-4-p...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)\C=C\c1c(C)nn(c1Cl)-c1ccc(F)cc1
Show InChI InChI=1S/C20H22ClFN4O3/c1-3-29-20(28)25-12-10-24(11-13-25)18(27)9-8-17-14(2)23-26(19(17)21)16-6-4-15(22)5-7-16/h4-9H,3,10-13H2,1-2H3/b9-8+
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n/an/a 3.71E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM31064
PNG
(4-(2-furanyl)-2-methylsulfonyl-6-(trifluoromethyl)...)
Show SMILES CS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccco1
Show InChI InChI=1S/C10H7F3N2O3S/c1-19(16,17)9-14-6(7-3-2-4-18-7)5-8(15-9)10(11,12)13/h2-5H,1H3
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n/an/a 3.81E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43520
PNG
(2-[(4-methyl-1-piperazinyl)methyl]-3-[[4-(2-naphth...)
Show SMILES CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccc3ccccc3c2)CC1
Show InChI InChI=1S/C28H27N5OS/c1-31-12-14-32(15-13-31)17-26-29-24-9-5-4-8-23(24)28(34)33(26)18-27-30-25(19-35-27)22-11-10-20-6-2-3-7-21(20)16-22/h2-11,16,19H,12-15,17-18H2,1H3
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n/an/a 4.92E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43508
PNG
(MLS000526191 | N-[1-(4-Methyl-6-oxo-6H-pyrimidin-1...)
Show SMILES Cc1cc(=O)n(cn1)C(NC(=O)c1ccccc1)C(=O)c1ccccc1
Show InChI InChI=1S/C20H17N3O3/c1-14-12-17(24)23(13-21-14)19(18(25)15-8-4-2-5-9-15)22-20(26)16-10-6-3-7-11-16/h2-13,19H,1H3,(H,22,26)
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43515
PNG
(5-amino-3-(3,4,5-triethoxyphenyl)-1,2-oxazole-4-ca...)
Show SMILES CCOc1cc(cc(OCC)c1OCC)-c1noc(N)c1C#N
Show InChI InChI=1S/C16H19N3O4/c1-4-20-12-7-10(14-11(9-17)16(18)23-19-14)8-13(21-5-2)15(12)22-6-3/h7-8H,4-6,18H2,1-3H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43541
PNG
(2-[(4-methyl-1-piperazinyl)methyl]-3-[[4-(3-nitrop...)
Show SMILES CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)CC1
Show InChI InChI=1S/C24H24N6O3S/c1-27-9-11-28(12-10-27)14-22-25-20-8-3-2-7-19(20)24(31)29(22)15-23-26-21(16-34-23)17-5-4-6-18(13-17)30(32)33/h2-8,13,16H,9-12,14-15H2,1H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43529
PNG
(2-(4-methylphenyl)-5-pyridin-4-yl-4H-benzo[i][1,3,...)
Show SMILES Cc1ccc(cc1)C1=NNC(c2ccncc2)=c2ccc3ccccc3c2=N1
Show InChI InChI=1S/C24H18N4/c1-16-6-8-19(9-7-16)24-26-23-20-5-3-2-4-17(20)10-11-21(23)22(27-28-24)18-12-14-25-15-13-18/h2-15,27H,1H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43539
PNG
((2R,3R,4S)-2-ethoxy-4-(4-ethynylphenyl)-3-(3-hydro...)
Show SMILES CCO[C@@H]1OC(=C[C@@H]([C@H]1CCCO)c1ccc(cc1)C#C)C(=O)OCC=C
Show InChI InChI=1S/C22H26O5/c1-4-14-26-21(24)20-15-19(17-11-9-16(5-2)10-12-17)18(8-7-13-23)22(27-20)25-6-3/h2,4,9-12,15,18-19,22-23H,1,6-8,13-14H2,3H3/t18-,19-,22-/m1/s1
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43543
PNG
(4-[3-(2-methylanilino)-2-[(2-methylanilino)-oxomet...)
Show SMILES Cc1ccccc1NC(=O)C(=Cc1ccc(cc1)C(O)=O)C(=O)Nc1ccccc1C
Show InChI InChI=1S/C25H22N2O4/c1-16-7-3-5-9-21(16)26-23(28)20(15-18-11-13-19(14-12-18)25(30)31)24(29)27-22-10-6-4-8-17(22)2/h3-15H,1-2H3,(H,26,28)(H,27,29)(H,30,31)
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43502
PNG
(2-furanyl-[4-(5H-pyrimido[5,4-b]indol-4-yl)-1-pipe...)
Show SMILES O=C(N1CCN(CC1)c1ncnc2c3ccccc3[nH]c12)c1ccco1
Show InChI InChI=1S/C19H17N5O2/c25-19(15-6-3-11-26-15)24-9-7-23(8-10-24)18-17-16(20-12-21-18)13-4-1-2-5-14(13)22-17/h1-6,11-12,22H,7-10H2
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43511
PNG
(2-[[(5-methyl-2-phenyl-3-pyrazolyl)amino]methylide...)
Show SMILES CCOC(=O)C(C=Nc1cc(C)nn1-c1ccccc1)C(=O)OCC
Show InChI InChI=1S/C18H21N3O4/c1-4-24-17(22)15(18(23)25-5-2)12-19-16-11-13(3)20-21(16)14-9-7-6-8-10-14/h6-12,15H,4-5H2,1-3H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43512
PNG
(3-(3,4-dimethylphenyl)-4-keto-phthalazine-1-carbox...)
Show SMILES Cc1ccc(cc1C)-n1nc(C(O)=O)c2ccccc2c1=O
Show InChI InChI=1S/C17H14N2O3/c1-10-7-8-12(9-11(10)2)19-16(20)14-6-4-3-5-13(14)15(18-19)17(21)22/h3-9H,1-2H3,(H,21,22)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43516
PNG
(3-(anilinosulfonyl)-4-methyl-N-{3-[methyl(methylsu...)
Show SMILES CN(c1cccc(NC(=O)c2ccc(C)c(c2)S(=O)(=O)Nc2ccccc2)c1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N3O5S2/c1-16-12-13-17(14-21(16)32(29,30)24-18-8-5-4-6-9-18)22(26)23-19-10-7-11-20(15-19)25(2)31(3,27)28/h4-15,24H,1-3H3,(H,23,26)
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43526
PNG
(2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1H-...)
Show SMILES Oc1ccc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)c(O)c1
Show InChI InChI=1S/C16H12N2O4S/c19-9-5-6-11(13(20)7-9)14(21)8-23-16-17-12-4-2-1-3-10(12)15(22)18-16/h1-7,19-20H,8H2,(H,17,18,22)
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43532
PNG
(11,11-dimethyl-3-(pyrrolidine-1-carbonyl)-10H-naph...)
Show SMILES CC1(C)Cc2c(ccc3ccccc23)C2=C(C(=O)N3CCCC3)C(=O)C(=O)N12
Show InChI InChI=1S/C23H22N2O3/c1-23(2)13-17-15-8-4-3-7-14(15)9-10-16(17)19-18(20(26)22(28)25(19)23)21(27)24-11-5-6-12-24/h3-4,7-10H,5-6,11-13H2,1-2H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43527
PNG
(2-[(7-hydroxy-2-keto-chromen-4-yl)methylthio]-1H-q...)
Show SMILES Oc1ccc2c(CSc3nc4ccccc4c(=O)[nH]3)cc(=O)oc2c1
Show InChI InChI=1S/C18H12N2O4S/c21-11-5-6-12-10(7-16(22)24-15(12)8-11)9-25-18-19-14-4-2-1-3-13(14)17(23)20-18/h1-8,21H,9H2,(H,19,20,23)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43536
PNG
((7-chloroquinazolin-4-yl)-o-anisyl-amine | 7-chlor...)
Show SMILES COc1ccccc1CNc1ncnc2cc(Cl)ccc12
Show InChI InChI=1S/C16H14ClN3O/c1-21-15-5-3-2-4-11(15)9-18-16-13-7-6-12(17)8-14(13)19-10-20-16/h2-8,10H,9H2,1H3,(H,18,19,20)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43517
PNG
(Isonicotinic acid N'-(1,3-diethyl-4,6-dioxo-2-...)
Show SMILES CCN1C(=S)N(CC)C(=O)C(=CNNC(=O)c2ccncc2)C1=O
Show InChI InChI=1S/C15H17N5O3S/c1-3-19-13(22)11(14(23)20(4-2)15(19)24)9-17-18-12(21)10-5-7-16-8-6-10/h5-9,17H,3-4H2,1-2H3,(H,18,21)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43501
PNG
(3-[4-(4-methoxyphenyl)-6-(trifluoromethyl)pyrimidi...)
Show SMILES COCC(C)NC(=O)CCS(=O)(=O)c1nc(cc(n1)C(F)(F)F)-c1ccc(OC)cc1
Show InChI InChI=1S/C19H22F3N3O5S/c1-12(11-29-2)23-17(26)8-9-31(27,28)18-24-15(10-16(25-18)19(20,21)22)13-4-6-14(30-3)7-5-13/h4-7,10,12H,8-9,11H2,1-3H3,(H,23,26)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM38996
PNG
(MLS000086269 | N-(5-methyl-1,2-oxazol-3-yl)-4-[4-t...)
Show SMILES Cc1cc(NC(=O)CCCS(=O)(=O)c2nc(cc(n2)C(F)(F)F)-c2cccs2)no1
Show InChI InChI=1S/C17H15F3N4O4S2/c1-10-8-14(24-28-10)23-15(25)5-3-7-30(26,27)16-21-11(12-4-2-6-29-12)9-13(22-16)17(18,19)20/h2,4,6,8-9H,3,5,7H2,1H3,(H,23,24,25)
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43510
PNG
(3-[oxo(1-pyrrolidinyl)methyl]-5-(phenylmethyl)-6-b...)
Show SMILES O=C(N1CCCC1)c1ccc2Sc3ccccc3C(=O)N(Cc3ccccc3)c2c1
Show InChI InChI=1S/C25H22N2O2S/c28-24(26-14-6-7-15-26)19-12-13-23-21(16-19)27(17-18-8-2-1-3-9-18)25(29)20-10-4-5-11-22(20)30-23/h1-5,8-13,16H,6-7,14-15,17H2
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The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43522
PNG
(2-[3-(4-fluorophenyl)-2,4-diketo-thieno[3,2-d]pyri...)
Show SMILES COc1ccc(CCNC(=O)Cn2c3ccsc3c(=O)n(-c3ccc(F)cc3)c2=O)cc1OC
Show InChI InChI=1S/C24H22FN3O5S/c1-32-19-8-3-15(13-20(19)33-2)9-11-26-21(29)14-27-18-10-12-34-22(18)23(30)28(24(27)31)17-6-4-16(25)5-7-17/h3-8,10,12-13H,9,11,14H2,1-2H3,(H,26,29)
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43504
PNG
(5-amino-3-(2-methylphenyl)-1,2-oxazole-4-carbonitr...)
Show SMILES Cc1ccccc1-c1noc(N)c1C#N
Show InChI InChI=1S/C11H9N3O/c1-7-4-2-3-5-8(7)10-9(6-12)11(13)15-14-10/h2-5H,13H2,1H3
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PCBioAssay
n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43530
PNG
(1-[(3,4-dimethoxyphenyl)methyl]-4-thiophen-2-yl-4H...)
Show SMILES COC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C1c1cccs1)C(=O)OC
Show InChI InChI=1S/C22H23NO6S/c1-26-17-8-7-14(10-18(17)27-2)11-23-12-15(21(24)28-3)20(19-6-5-9-30-19)16(13-23)22(25)29-4/h5-10,12-13,20H,11H2,1-4H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43521
PNG
(MLS000394345 | N-(4-fluorophenyl)-2-[4-(4-methylph...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(C(=O)Nc1ccc(F)cc1)c1ccccc1
Show InChI InChI=1S/C25H26FN3O3S/c1-19-7-13-23(14-8-19)33(31,32)29-17-15-28(16-18-29)24(20-5-3-2-4-6-20)25(30)27-22-11-9-21(26)10-12-22/h2-14,24H,15-18H2,1H3,(H,27,30)
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37480
PNG
(5-ethyl-2-(pyrrolidine-1-carbonyl)thieno[3,2-c]qui...)
Show SMILES CCn1c2ccccc2c2sc(cc2c1=O)C(=O)N1CCCC1
Show InChI InChI=1S/C18H18N2O2S/c1-2-20-14-8-4-3-7-12(14)16-13(17(20)21)11-15(23-16)18(22)19-9-5-6-10-19/h3-4,7-8,11H,2,5-6,9-10H2,1H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43519
PNG
(3-[[4-(2-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-...)
Show SMILES CN1CCN(Cc2nc3ccccc3c(=O)n2Cc2nc(cs2)-c2ccccc2F)CC1
Show InChI InChI=1S/C24H24FN5OS/c1-28-10-12-29(13-11-28)14-22-26-20-9-5-3-7-18(20)24(31)30(22)15-23-27-21(16-32-23)17-6-2-4-8-19(17)25/h2-9,16H,10-15H2,1H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43514
PNG
(3,9-bis(4-methoxyphenyl)-7-methyl-4-oxo-8-pyrido[1...)
Show SMILES CCOC(=O)c1c(C)nc2sc3c(nnn(-c4ccc(OC)cc4)c3=O)c2c1-c1ccc(OC)cc1
Show InChI InChI=1S/C26H22N4O5S/c1-5-35-26(32)19-14(2)27-24-21(20(19)15-6-10-17(33-3)11-7-15)22-23(36-24)25(31)30(29-28-22)16-8-12-18(34-4)13-9-16/h6-13H,5H2,1-4H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43505
PNG
(4-[4-(4-keto-2-thioxo-1H-quinazolin-3-yl)benzoyl]p...)
Show SMILES CCOC(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-n1c(=S)[nH]c2ccccc2c1=O
Show InChI InChI=1S/C22H22N4O4S/c1-2-30-22(29)25-13-11-24(12-14-25)19(27)15-7-9-16(10-8-15)26-20(28)17-5-3-4-6-18(17)23-21(26)31/h3-10H,2,11-14H2,1H3,(H,23,31)
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43533
PNG
(3-(3,4-dimethoxyphenyl)-2-(3-pyridinylmethylthio)-...)
Show SMILES COc1ccc(cc1OC)-n1c(SCc2cccnc2)nc2CCSc2c1=O
Show InChI InChI=1S/C20H19N3O3S2/c1-25-16-6-5-14(10-17(16)26-2)23-19(24)18-15(7-9-27-18)22-20(23)28-12-13-4-3-8-21-11-13/h3-6,8,10-11H,7,9,12H2,1-2H3
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n/an/a>5.57E+4n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay


Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2PZ577D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%