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PubChem AID 1404

Compile data set for download or QSAR
Found 107 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)
BDBM50131053
PNG
(10-Methoxy-8,13-dihydro-7H-indolo[2',3':3,4]pyrido...)
Show SMILES COc1ccc2[nH]c-3c(CCn4c-3nc3ccccc3c4=O)c2c1
Show InChI InChI=1S/C19H15N3O2/c1-24-11-6-7-16-14(10-11)12-8-9-22-18(17(12)20-16)21-15-5-3-2-4-13(15)19(22)23/h2-7,10,20H,8-9H2,1H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43661
PNG
(4-Methyl-thiazole-5-carboxylic acid (4,5,6,7-tetra...)
Show SMILES Cc1ncsc1C(=O)Nc1nc2CCCCc2s1
Show InChI InChI=1S/C12H13N3OS2/c1-7-10(17-6-13-7)11(16)15-12-14-8-4-2-3-5-9(8)18-12/h6H,2-5H2,1H3,(H,14,15,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43663
PNG
(2-(2-chlorophenyl)-1,3-benzoxazol-5-amine | MLS000...)
Show SMILES Nc1ccc2oc(nc2c1)-c1ccccc1Cl
Show InChI InChI=1S/C13H9ClN2O/c14-10-4-2-1-3-9(10)13-16-11-7-8(15)5-6-12(11)17-13/h1-7H,15H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM41395
PNG
(MLS000093387 | N-(6-methoxy-4-pyrimidinyl)-4,5,6,7...)
Show SMILES COc1cc(NC(=O)c2csc3CCCCc23)ncn1
Show InChI InChI=1S/C14H15N3O2S/c1-19-13-6-12(15-8-16-13)17-14(18)10-7-20-11-5-3-2-4-9(10)11/h6-8H,2-5H2,1H3,(H,15,16,17,18)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43667
PNG
(5-(4-bromophenyl)-N-prop-2-enyl-1,2-oxazole-3-carb...)
Show SMILES Brc1ccc(cc1)-c1cc(no1)C(=O)NCC=C
Show InChI InChI=1S/C13H11BrN2O2/c1-2-7-15-13(17)11-8-12(18-16-11)9-3-5-10(14)6-4-9/h2-6,8H,1,7H2,(H,15,17)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43692
PNG
(2-(3-pyridinyl)-1H-benzo[f]benzimidazole | 2-(3-py...)
Show SMILES c1ccc2cc3[nH]c(nc3cc2c1)-c1cccnc1
Show InChI InChI=1S/C16H11N3/c1-2-5-12-9-15-14(8-11(12)4-1)18-16(19-15)13-6-3-7-17-10-13/h1-10H,(H,18,19)
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43696
PNG
((E)-N-(1H-benzimidazol-2-yl)-3-(4-fluorophenyl)-2-...)
Show SMILES Fc1ccc(\C=C\C(=O)Nc2nc3ccccc3[nH]2)cc1
Show InChI InChI=1S/C16H12FN3O/c17-12-8-5-11(6-9-12)7-10-15(21)20-16-18-13-3-1-2-4-14(13)19-16/h1-10H,(H2,18,19,20,21)/b10-7+
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43705
PNG
(5-(1-benzofuran-2-yl)-N-tert-butyl-6H-1,3,4-thiadi...)
Show SMILES CC(C)(C)NC1=NN=C(CS1)c1cc2ccccc2o1
Show InChI InChI=1S/C15H17N3OS/c1-15(2,3)16-14-18-17-11(9-20-14)13-8-10-6-4-5-7-12(10)19-13/h4-8H,9H2,1-3H3,(H,16,18)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43723
PNG
((E)-1-(4-bromophenyl)-3-(2-fluoroanilino)-2-propen...)
Show SMILES Fc1ccccc1N=CCC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrFNO/c16-12-7-5-11(6-8-12)15(19)9-10-18-14-4-2-1-3-13(14)17/h1-8,10H,9H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43740
PNG
((phenylmethyl) 4-ethyl-3,5-dimethyl-1H-pyrrole-2-c...)
Show SMILES CCc1c(C)[nH]c(C(=O)OCc2ccccc2)c1C
Show InChI InChI=1S/C16H19NO2/c1-4-14-11(2)15(17-12(14)3)16(18)19-10-13-8-6-5-7-9-13/h5-9,17H,4,10H2,1-3H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43741
PNG
(3-[2-(4-chlorophenyl)-2-keto-ethyl]quinazolin-4-on...)
Show SMILES Clc1ccc(cc1)C(=O)Cn1cnc2ccccc2c1=O
Show InChI InChI=1S/C16H11ClN2O2/c17-12-7-5-11(6-8-12)15(20)9-19-10-18-14-4-2-1-3-13(14)16(19)21/h1-8,10H,9H2
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43742
PNG
(MLS000707360 | N-[4-[2-[(6-methyl-2-pyridinyl)amin...)
Show SMILES CC(=O)Nc1ccc(cc1)-c1csc(Nc2cccc(C)n2)n1
Show InChI InChI=1S/C17H16N4OS/c1-11-4-3-5-16(18-11)21-17-20-15(10-23-17)13-6-8-14(9-7-13)19-12(2)22/h3-10H,1-2H3,(H,19,22)(H,18,20,21)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43751
PNG
(2-(4-methoxyphenyl)-6-phenyl-7-pyrazolo[1,5-a]pyri...)
Show SMILES COc1ccc(cc1)-c1cc2ncc(-c3ccccc3)c(N)n2n1
Show InChI InChI=1S/C19H16N4O/c1-24-15-9-7-14(8-10-15)17-11-18-21-12-16(19(20)23(18)22-17)13-5-3-2-4-6-13/h2-12H,20H2,1H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43697
PNG
(3-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-sulfany...)
Show SMILES COc1ccc(cc1)-c1csc(n1)-n1c(O)c[nH]c1=S
Show InChI InChI=1S/C13H11N3O2S2/c1-18-9-4-2-8(3-5-9)10-7-20-13(15-10)16-11(17)6-14-12(16)19/h2-7,17H,1H3,(H,14,19)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43700
PNG
((5Z)-3-methyl-5-[(2Z)-2-(3-methyl-1,3-thiazolidin-...)
Show SMILES CN1CCS\C1=C/C=C1\SC(=S)N(C)C1=O
Show InChI InChI=1S/C10H12N2OS3/c1-11-5-6-15-8(11)4-3-7-9(13)12(2)10(14)16-7/h3-4H,5-6H2,1-2H3/b7-3-,8-4-
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43701
PNG
((5-Methyl-4-nitro-2H-pyrazol-3-yl)-m-tolyl-amine |...)
Show SMILES Cc1n[nH]c(Nc2cccc(C)c2)c1[N+]([O-])=O
Show InChI InChI=1S/C11H12N4O2/c1-7-4-3-5-9(6-7)12-11-10(15(16)17)8(2)13-14-11/h3-6H,1-2H3,(H2,12,13,14)
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43709
PNG
(MLS000681135 | N-[(3-acetylanilino)-sulfanylidenem...)
Show SMILES CC(=O)c1cccc(NC(=S)NC(=O)c2cccc(C)c2)c1
Show InChI InChI=1S/C17H16N2O2S/c1-11-5-3-7-14(9-11)16(21)19-17(22)18-15-8-4-6-13(10-15)12(2)20/h3-10H,1-2H3,(H2,18,19,21,22)
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43710
PNG
((Z)-1-(1,3-benzodioxol-5-yl)-3-(3,4-dimethoxyanili...)
Show SMILES COc1ccc(cc1OC)N=CCC(=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C18H17NO5/c1-21-15-6-4-13(10-17(15)22-2)19-8-7-14(20)12-3-5-16-18(9-12)24-11-23-16/h3-6,8-10H,7,11H2,1-2H3
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43716
PNG
((E)-1-(2,3-dihydroindol-1-yl)-3-(3-fluorophenyl)-2...)
Show SMILES Fc1cccc(\C=C\C(=O)N2CCc3ccccc23)c1
Show InChI InChI=1S/C17H14FNO/c18-15-6-3-4-13(12-15)8-9-17(20)19-11-10-14-5-1-2-7-16(14)19/h1-9,12H,10-11H2/b9-8+
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43730
PNG
((E)-2-methyl-3-phenyl-N-(1,3-thiazol-2-yl)prop-2-e...)
Show SMILES C\C(=C/c1ccccc1)C(=O)Nc1nccs1
Show InChI InChI=1S/C13H12N2OS/c1-10(9-11-5-3-2-4-6-11)12(16)15-13-14-7-8-17-13/h2-9H,1H3,(H,14,15,16)/b10-9+
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43733
PNG
(5-(4-nitrophenyl)-N-(1,3-thiazol-2-yl)furan-2-carb...)
Show SMILES [O-][N+](=O)c1ccc(cc1)-c1ccc(o1)C(=O)Nc1nccs1
Show InChI InChI=1S/C14H9N3O4S/c18-13(16-14-15-7-8-22-14)12-6-5-11(21-12)9-1-3-10(4-2-9)17(19)20/h1-8H,(H,15,16,18)
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PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43734
PNG
(3-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)-2-buten...)
Show SMILES CC(C)=CC(=O)Nc1nc2ccc(cc2s1)[N+]([O-])=O
Show InChI InChI=1S/C12H11N3O3S/c1-7(2)5-11(16)14-12-13-9-4-3-8(15(17)18)6-10(9)19-12/h3-6H,1-2H3,(H,13,14,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43739
PNG
((2-phenylbenzotriazol-5-yl)amine | 2-phenyl-5-benz...)
Show SMILES Nc1ccc2nn(nc2c1)-c1ccccc1
Show InChI InChI=1S/C12H10N4/c13-9-6-7-11-12(8-9)15-16(14-11)10-4-2-1-3-5-10/h1-8H,13H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43745
PNG
(MLS000689575 | N-(4-ethylphenyl)-3-phenyl-1-pyrrol...)
Show SMILES CCc1ccc(NC(=O)N2CCC(C2)c2ccccc2)cc1
Show InChI InChI=1S/C19H22N2O/c1-2-15-8-10-18(11-9-15)20-19(22)21-13-12-17(14-21)16-6-4-3-5-7-16/h3-11,17H,2,12-14H2,1H3,(H,20,22)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43658
PNG
((2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-(dimethy...)
Show SMILES CN(C)c1ccc(cc1)C(=O)OCC(=O)c1cccs1
Show InChI InChI=1S/C15H15NO3S/c1-16(2)12-7-5-11(6-8-12)15(18)19-10-13(17)14-4-3-9-20-14/h3-9H,10H2,1-2H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM38116
PNG
(MLS000087665 | N-(7-methyl-2-thiazolo[4,5-g][1,3]b...)
Show SMILES Cc1nc2ccc3nc(NC(=O)c4ccco4)sc3c2s1
Show InChI InChI=1S/C14H9N3O2S2/c1-7-15-8-4-5-9-12(11(8)20-7)21-14(16-9)17-13(18)10-3-2-6-19-10/h2-6H,1H3,(H,16,17,18)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43676
PNG
(MLS000065715 | N-(1,3-benzothiazol-2-yl)-5-methyl-...)
Show SMILES Cc1ccc(s1)C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C13H10N2OS2/c1-8-6-7-11(17-8)12(16)15-13-14-9-4-2-3-5-10(9)18-13/h2-7H,1H3,(H,14,15,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43681
PNG
(5-(4-methylphenyl)-2-pyridin-4-yl-1,3-oxazole | 5-...)
Show SMILES Cc1ccc(cc1)-c1cnc(o1)-c1ccncc1
Show InChI InChI=1S/C15H12N2O/c1-11-2-4-12(5-3-11)14-10-17-15(18-14)13-6-8-16-9-7-13/h2-10H,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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43684
PNG
(2-Amino-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-...)
Show SMILES Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc12
Show InChI InChI=1S/C17H16N2O3/c18-14-7-3-2-6-13(14)17(21)22-11-16(20)19-10-9-12-5-1-4-8-15(12)19/h1-8H,9-11,18H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43688
PNG
((E)-2-(1H-Benzoimidazol-2-yl)-3-(5-morpholin-4-yl-...)
Show SMILES N#C\C(=C/c1ccc(o1)N1CCOCC1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H16N4O2/c19-12-13(18-20-15-3-1-2-4-16(15)21-18)11-14-5-6-17(24-14)22-7-9-23-10-8-22/h1-6,11H,7-10H2,(H,20,21)/b13-11+
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43690
PNG
(5-(4-methylphenyl)-2-phenyl-3-pyrazolamine | 5-(4-...)
Show SMILES Cc1ccc(cc1)-c1cc(N)n(n1)-c1ccccc1
Show InChI InChI=1S/C16H15N3/c1-12-7-9-13(10-8-12)15-11-16(17)19(18-15)14-5-3-2-4-6-14/h2-11H,17H2,1H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM34735
PNG
(1-(4-methoxyphenyl)-3-(6-quinoxalinyl)thiourea | 1...)
Show SMILES COc1ccc(NC(=S)Nc2ccc3nccnc3c2)cc1
Show InChI InChI=1S/C16H14N4OS/c1-21-13-5-2-11(3-6-13)19-16(22)20-12-4-7-14-15(10-12)18-9-8-17-14/h2-10H,1H3,(H2,19,20,22)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43711
PNG
(2-(4-methoxyphenyl)-5-nitro-1H-benzimidazole | 2-(...)
Show SMILES COc1ccc(cc1)-c1nc2ccc(cc2[nH]1)[N+]([O-])=O
Show InChI InChI=1S/C14H11N3O3/c1-20-11-5-2-9(3-6-11)14-15-12-7-4-10(17(18)19)8-13(12)16-14/h2-8H,1H3,(H,15,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43714
PNG
(2-[[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]carbamoyl]...)
Show SMILES OC(=O)c1ccccc1C(=O)Nc1ccc(cc1)-c1csc(n1)-c1ccccc1
Show InChI InChI=1S/C23H16N2O3S/c26-21(18-8-4-5-9-19(18)23(27)28)24-17-12-10-15(11-13-17)20-14-29-22(25-20)16-6-2-1-3-7-16/h1-14H,(H,24,26)(H,27,28)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43724
PNG
((E)-1-(4-chlorophenyl)-3-(3-methoxyanilino)-2-prop...)
Show SMILES COc1cccc(c1)N=CCC(=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-10-9-16(19)12-5-7-13(17)8-6-12/h2-8,10-11H,9H2,1H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43744
PNG
(2-[(2-fluorobenzyl)thio]-5-(3-pyridyl)-1,3,4-oxadi...)
Show SMILES Fc1ccccc1CSc1nnc(o1)-c1cccnc1
Show InChI InChI=1S/C14H10FN3OS/c15-12-6-2-1-4-11(12)9-20-14-18-17-13(19-14)10-5-3-7-16-8-10/h1-8H,9H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43748
PNG
(MLS000660685 | N-(6-methyl-1,3-benzothiazol-2-yl)-...)
Show SMILES Cc1ccc2nc(NC(=O)CCn3cccc3)sc2c1
Show InChI InChI=1S/C15H15N3OS/c1-11-4-5-12-13(10-11)20-15(16-12)17-14(19)6-9-18-7-2-3-8-18/h2-5,7-8,10H,6,9H2,1H3,(H,16,17,19)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43662
PNG
(3-phenyl-7-propan-2-yloxy-1-benzopyran-4-one | 3-p...)
Show SMILES CC(C)Oc1ccc2c(c1)occ(-c1ccccc1)c2=O
Show InChI InChI=1S/C18H16O3/c1-12(2)21-14-8-9-15-17(10-14)20-11-16(18(15)19)13-6-4-3-5-7-13/h3-12H,1-2H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43669
PNG
(5-(4-methoxyphenyl)-N-sec-butyl-isoxazole-3-carbox...)
Show SMILES CCC(C)NC(=O)c1cc(on1)-c1ccc(OC)cc1
Show InChI InChI=1S/C15H18N2O3/c1-4-10(2)16-15(18)13-9-14(20-17-13)11-5-7-12(19-3)8-6-11/h5-10H,4H2,1-3H3,(H,16,18)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43677
PNG
(5-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-...)
Show SMILES Cc1ccc(o1)C(=O)Nc1nc2CCCCc2s1
Show InChI InChI=1S/C13H14N2O2S/c1-8-6-7-10(17-8)12(16)15-13-14-9-4-2-3-5-11(9)18-13/h6-7H,2-5H2,1H3,(H,14,15,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43678
PNG
(1-(4-chlorophenyl)-N-(2-oxolanylmethyl)-4-pyrazolo...)
Show SMILES Clc1ccc(cc1)-n1ncc2c(NCC3CCCO3)ncnc12
Show InChI InChI=1S/C16H16ClN5O/c17-11-3-5-12(6-4-11)22-16-14(9-21-22)15(19-10-20-16)18-8-13-2-1-7-23-13/h3-6,9-10,13H,1-2,7-8H2,(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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43680
PNG
(MLS000110502 | SMR000106431 | cid_883228 | phenyl-...)
Show SMILES O=C(c1ccccc1)c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C17H17NO/c19-17(14-6-2-1-3-7-14)15-8-10-16(11-9-15)18-12-4-5-13-18/h1-3,6-11H,4-5,12-13H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43685
PNG
(MLS000534112 | N-(1,3-benzothiazol-2-yl)carbamic a...)
Show SMILES CCCCOC(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C12H14N2O2S/c1-2-3-8-16-12(15)14-11-13-9-6-4-5-7-10(9)17-11/h4-7H,2-3,8H2,1H3,(H,13,14,15)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43686
PNG
((E)-2-cyano-3-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2...)
Show SMILES CCOC(=O)C(=C\c1cc(C)n(c1C)-c1ccccc1)\C#N
Show InChI InChI=1S/C18H18N2O2/c1-4-22-18(21)16(12-19)11-15-10-13(2)20(14(15)3)17-8-6-5-7-9-17/h5-11H,4H2,1-3H3/b16-11+
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43702
PNG
(1-(4-Nitro-benzoyl)-3-pyridin-2-yl-thiourea | 4-ni...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)NC(=S)Nc1ccccn1
Show InChI InChI=1S/C13H10N4O3S/c18-12(9-4-6-10(7-5-9)17(19)20)16-13(21)15-11-3-1-2-8-14-11/h1-8H,(H2,14,15,16,18,21)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43717
PNG
(4-(1-benzofuran-2-yl)-N-prop-2-enyl-1,3-thiazol-2-...)
Show SMILES C=CCNc1nc(cs1)-c1cc2ccccc2o1
Show InChI InChI=1S/C14H12N2OS/c1-2-7-15-14-16-11(9-18-14)13-8-10-5-3-4-6-12(10)17-13/h2-6,8-9H,1,7H2,(H,15,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43721
PNG
(2-[[(E)-3-(4-methylphenyl)-1-oxoprop-2-enyl]amino]...)
Show SMILES Cc1ccc(\C=C\C(=O)Nc2ccccc2C(N)=O)cc1
Show InChI InChI=1S/C17H16N2O2/c1-12-6-8-13(9-7-12)10-11-16(20)19-15-5-3-2-4-14(15)17(18)21/h2-11H,1H3,(H2,18,21)(H,19,20)/b11-10+
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43728
PNG
((E)-N-(5-chloranylpyridin-2-yl)-3-phenyl-prop-2-en...)
Show SMILES Clc1ccc(NC(=O)\C=C\c2ccccc2)nc1
Show InChI InChI=1S/C14H11ClN2O/c15-12-7-8-13(16-10-12)17-14(18)9-6-11-4-2-1-3-5-11/h1-10H,(H,16,17,18)/b9-6+
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43735
PNG
(2-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]be...)
Show SMILES Cc1nc(cs1)-c1ccc(NC(=O)c2ccccc2C)cc1
Show InChI InChI=1S/C18H16N2OS/c1-12-5-3-4-6-16(12)18(21)20-15-9-7-14(8-10-15)17-11-22-13(2)19-17/h3-11H,1-2H3,(H,20,21)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM39426
PNG
(7-amino-3-phenyl-6-pyrazolo[1,5-a]pyrimidinecarbox...)
Show SMILES CCOC(=O)c1cnc2c(cnn2c1N)-c1ccccc1
Show InChI InChI=1S/C15H14N4O2/c1-2-21-15(20)12-8-17-14-11(9-18-19(14)13(12)16)10-6-4-3-5-7-10/h3-9H,2,16H2,1H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43660
PNG
(2-furfuryl-[5-methyl-2-(p-tolyl)pyrazolo[1,5-a]pyr...)
Show SMILES Cc1ccc(cc1)-c1cc2nc(C)cc(NCc3ccco3)n2n1
Show InChI InChI=1S/C19H18N4O/c1-13-5-7-15(8-6-13)17-11-19-21-14(2)10-18(23(19)22-17)20-12-16-4-3-9-24-16/h3-11,20H,12H2,1-2H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM30718
PNG
(7-(diethylamino)-2-keto-N-(2-pyridyl)chromene-3-ca...)
Show SMILES CCN(CC)c1ccc2cc(C(=O)Nc3ccccn3)c(=O)oc2c1
Show InChI InChI=1S/C19H19N3O3/c1-3-22(4-2)14-9-8-13-11-15(19(24)25-16(13)12-14)18(23)21-17-7-5-6-10-20-17/h5-12H,3-4H2,1-2H3,(H,20,21,23)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM38900
PNG
(1-(4-chlorophenyl)-4-(1-pyrrolidinyl)pyrazolo[3,4-...)
Show SMILES Clc1ccc(cc1)-n1ncc2c(ncnc12)N1CCCC1
Show InChI InChI=1S/C15H14ClN5/c16-11-3-5-12(6-4-11)21-15-13(9-19-21)14(17-10-18-15)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43665
PNG
(3-(2-amino-1,3-thiazol-5-yl)chromen-2-one | 3-(2-a...)
Show SMILES Nc1ncc(s1)-c1cc2ccccc2oc1=O
Show InChI InChI=1S/C12H8N2O2S/c13-12-14-6-10(17-12)8-5-7-3-1-2-4-9(7)16-11(8)15/h1-6H,(H2,13,14)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43687
PNG
(1-(2-methyl-1,3-benzoxazol-5-yl)-3-(4-methylphenyl...)
Show SMILES Cc1nc2cc(NC(=O)Nc3ccc(C)cc3)ccc2o1
Show InChI InChI=1S/C16H15N3O2/c1-10-3-5-12(6-4-10)18-16(20)19-13-7-8-15-14(9-13)17-11(2)21-15/h3-9H,1-2H3,(H2,18,19,20)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43694
PNG
(MLS000578308 | N-[4-(1,3-benzothiazol-2-yl)phenyl]...)
Show SMILES Cc1nnc(SCC(=O)Nc2ccc(cc2)-c2nc3ccccc3s2)s1
Show InChI InChI=1S/C18H14N4OS3/c1-11-21-22-18(25-11)24-10-16(23)19-13-8-6-12(7-9-13)17-20-14-4-2-3-5-15(14)26-17/h2-9H,10H2,1H3,(H,19,23)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43699
PNG
(5-bromanyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thi...)
Show SMILES Brc1ccc(s1)C(=O)Nc1ccc2OCCOc2c1
Show InChI InChI=1S/C13H10BrNO3S/c14-12-4-3-11(19-12)13(16)15-8-1-2-9-10(7-8)18-6-5-17-9/h1-4,7H,5-6H2,(H,15,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43703
PNG
((E)-3-(2-furanyl)-N-(2-pyridinyl)-2-propenamide | ...)
Show SMILES O=C(Nc1ccccn1)\C=C\c1ccco1
Show InChI InChI=1S/C12H10N2O2/c15-12(7-6-10-4-3-9-16-10)14-11-5-1-2-8-13-11/h1-9H,(H,13,14,15)/b7-6+
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43707
PNG
(2-(2-phenyl-1,3-benzothiazol-5-yl)acetamide | 2-(2...)
Show SMILES NC(=O)Cc1ccc2sc(nc2c1)-c1ccccc1
Show InChI InChI=1S/C15H12N2OS/c16-14(18)9-10-6-7-13-12(8-10)17-15(19-13)11-4-2-1-3-5-11/h1-8H,9H2,(H2,16,18)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43712
PNG
(2-bromanyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]...)
Show SMILES Cc1nc(cs1)-c1ccc(NC(=O)c2ccccc2Br)cc1
Show InChI InChI=1S/C17H13BrN2OS/c1-11-19-16(10-22-11)12-6-8-13(9-7-12)20-17(21)14-4-2-3-5-15(14)18/h2-10H,1H3,(H,20,21)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43718
PNG
(4-(1-benzofuran-2-yl)-N-ethyl-1,3-thiazol-2-amine ...)
Show SMILES CCNc1nc(cs1)-c1cc2ccccc2o1
Show InChI InChI=1S/C13H12N2OS/c1-2-14-13-15-10(8-17-13)12-7-9-5-3-4-6-11(9)16-12/h3-8H,2H2,1H3,(H,14,15)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43720
PNG
((E)-1-(3-methylpiperidino)-3-(p-tolyl)prop-2-en-1-...)
Show SMILES CC1CCCN(C1)C(=O)\C=C\c1ccc(C)cc1
Show InChI InChI=1S/C16H21NO/c1-13-5-7-15(8-6-13)9-10-16(18)17-11-3-4-14(2)12-17/h5-10,14H,3-4,11-12H2,1-2H3/b10-9+
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43731
PNG
((E)-1-(4-bromophenyl)-3-(4-fluoroanilino)-2-propen...)
Show SMILES Fc1ccc(cc1)N=CCC(=O)c1ccc(Br)cc1
Show InChI InChI=1S/C15H11BrFNO/c16-12-3-1-11(2-4-12)15(19)9-10-18-14-7-5-13(17)6-8-14/h1-8,10H,9H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43738
PNG
(1-[2-(6-bromanylnaphthalen-2-yl)oxyethanoylamino]-...)
Show SMILES Brc1ccc2cc(OCC(=O)NNC(=S)NCC=C)ccc2c1
Show InChI InChI=1S/C16H16BrN3O2S/c1-2-7-18-16(23)20-19-15(21)10-22-14-6-4-11-8-13(17)5-3-12(11)9-14/h2-6,8-9H,1,7,10H2,(H,19,21)(H2,18,20,23)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43743
PNG
(2-acetamido-1,3-benzothiazole-6-carboxylic acid et...)
Show SMILES CCOC(=O)c1ccc2nc(NC(C)=O)sc2c1
Show InChI InChI=1S/C12H12N2O3S/c1-3-17-11(16)8-4-5-9-10(6-8)18-12(14-9)13-7(2)15/h4-6H,3H2,1-2H3,(H,13,14,15)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43749
PNG
(3,8-dimethoxy-6-benzo[c][1]benzopyranone | 3,8-dim...)
Show SMILES COc1ccc2c(c1)oc(=O)c1cc(OC)ccc21
Show InChI InChI=1S/C15H12O4/c1-17-9-3-5-11-12-6-4-10(18-2)8-14(12)19-15(16)13(11)7-9/h3-8H,1-2H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43752
PNG
((2-aminophenyl)-(5-phenyl-1H-pyrazol-3-yl)amine | ...)
Show SMILES Nc1ccccc1Nc1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C15H14N4/c16-12-8-4-5-9-13(12)17-15-10-14(18-19-15)11-6-2-1-3-7-11/h1-10H,16H2,(H2,17,18,19)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43659
PNG
(MLS000075902 | N-(3-Quinoxalin-2-yl-phenyl)-acetam...)
Show SMILES CC(=O)Nc1cccc(c1)-c1cnc2ccccc2n1
Show InChI InChI=1S/C16H13N3O/c1-11(20)18-13-6-4-5-12(9-13)16-10-17-14-7-2-3-8-15(14)19-16/h2-10H,1H3,(H,18,20)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM39435
PNG
(2-[(3-cyano-6-pyridin-4-yl-2-pyridinyl)thio]acetic...)
Show SMILES CCOC(=O)CSc1nc(ccc1C#N)-c1ccncc1
Show InChI InChI=1S/C15H13N3O2S/c1-2-20-14(19)10-21-15-12(9-16)3-4-13(18-15)11-5-7-17-8-6-11/h3-8H,2,10H2,1H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43672
PNG
(2-ethoxy-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetami...)
Show SMILES CCOCC(=O)Nc1nc2ccc(OCC)cc2s1
Show InChI InChI=1S/C13H16N2O3S/c1-3-17-8-12(16)15-13-14-10-6-5-9(18-4-2)7-11(10)19-13/h5-7H,3-4,8H2,1-2H3,(H,14,15,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43673
PNG
(MLS000065628 | N-[2-(1-cyclohexen-1-yl)ethyl]-2,5-...)
Show SMILES Cc1cc(C(=O)NCCC2=CCCCC2)c(C)o1
Show InChI InChI=1S/C15H21NO2/c1-11-10-14(12(2)18-11)15(17)16-9-8-13-6-4-3-5-7-13/h6,10H,3-5,7-9H2,1-2H3,(H,16,17)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43674
PNG
(MLS000065674 | N-(2,3-dihydro-1H-inden-5-yl)-2-met...)
Show SMILES Cc1occc1C(=O)Nc1ccc2CCCc2c1
Show InChI InChI=1S/C15H15NO2/c1-10-14(7-8-18-10)15(17)16-13-6-5-11-3-2-4-12(11)9-13/h5-9H,2-4H2,1H3,(H,16,17)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43695
PNG
((E)-1-(5-methyl-2-furanyl)-3-(3-nitroanilino)-2-pr...)
Show SMILES Cc1ccc(o1)C(=O)CC=Nc1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C14H12N2O4/c1-10-5-6-14(20-10)13(17)7-8-15-11-3-2-4-12(9-11)16(18)19/h2-6,8-9H,7H2,1H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43698
PNG
(1-(5-methyl-2-furoyl)indoline | 2,3-dihydroindol-1...)
Show SMILES Cc1ccc(o1)C(=O)N1CCc2ccccc12
Show InChI InChI=1S/C14H13NO2/c1-10-6-7-13(17-10)14(16)15-9-8-11-4-2-3-5-12(11)15/h2-7H,8-9H2,1H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43706
PNG
(MLS000392562 | N-[(3-cyano-5,6,7,8-tetrahydro-4H-c...)
Show SMILES CC(=O)NC(=S)Nc1sc2CCCCCc2c1C#N
Show InChI InChI=1S/C13H15N3OS2/c1-8(17)15-13(18)16-12-10(7-14)9-5-3-2-4-6-11(9)19-12/h2-6H2,1H3,(H2,15,16,17,18)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43715
PNG
(MLS000701139 | SMR000226438 | [3-amino-4-(dimethyl...)
Show SMILES CN(C)c1ccnc2sc(C(=O)c3ccccc3)c(N)c12
Show InChI InChI=1S/C16H15N3OS/c1-19(2)11-8-9-18-16-12(11)13(17)15(21-16)14(20)10-6-4-3-5-7-10/h3-9H,17H2,1-2H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43727
PNG
(2-(4-ethylanilino)-7-methyl-7,8-dihydro-6H-quinazo...)
Show SMILES CCc1ccc(Nc2ncc3C(=O)CC(C)Cc3n2)cc1
Show InChI InChI=1S/C17H19N3O/c1-3-12-4-6-13(7-5-12)19-17-18-10-14-15(20-17)8-11(2)9-16(14)21/h4-7,10-11H,3,8-9H2,1-2H3,(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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM9461
PNG
(5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one...)
Show SMILES COc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43664
PNG
(5-(4-methoxyanilino)-2-thiophen-2-yl-1,3-oxazole-4...)
Show SMILES COc1ccc(Nc2oc(nc2C#N)-c2cccs2)cc1
Show InChI InChI=1S/C15H11N3O2S/c1-19-11-6-4-10(5-7-11)17-14-12(9-16)18-15(20-14)13-3-2-8-21-13/h2-8,17H,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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43666
PNG
((2-phenyl-1,3-thiazol-4-yl)methyl thiophene-2-carb...)
Show SMILES O=C(OCc1csc(n1)-c1ccccc1)c1cccs1
Show InChI InChI=1S/C15H11NO2S2/c17-15(13-7-4-8-19-13)18-9-12-10-20-14(16-12)11-5-2-1-3-6-11/h1-8,10H,9H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM42845
PNG
(MLS000102787 | N-(4-thiazolo[5,4-b]pyridin-2-ylphe...)
Show SMILES O=C(Nc1ccc(cc1)-c1nc2cccnc2s1)c1ccco1
Show InChI InChI=1S/C17H11N3O2S/c21-15(14-4-2-10-22-14)19-12-7-5-11(6-8-12)16-20-13-3-1-9-18-17(13)23-16/h1-10H,(H,19,21)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43679
PNG
(2-pyridylmethyl(2-quinolyl)amine | MLS000107676 | ...)
Show SMILES C(Nc1ccc2ccccc2n1)c1ccccn1
Show InChI InChI=1S/C15H13N3/c1-2-7-14-12(5-1)8-9-15(18-14)17-11-13-6-3-4-10-16-13/h1-10H,11H2,(H,17,18)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43682
PNG
(2-(2-Methyl-1H-benzoimidazol-5-yl)-benzooxazole | ...)
Show SMILES Cc1nc2ccc(cc2[nH]1)-c1nc2ccccc2o1
Show InChI InChI=1S/C15H11N3O/c1-9-16-11-7-6-10(8-13(11)17-9)15-18-12-4-2-3-5-14(12)19-15/h2-8H,1H3,(H,16,17)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43689
PNG
(MLS000567289 | N-pentyl-4-phenyl-1,3-thiazol-2-ami...)
Show SMILES CCCCCNc1nc(cs1)-c1ccccc1
Show InChI InChI=1S/C14H18N2S/c1-2-3-7-10-15-14-16-13(11-17-14)12-8-5-4-6-9-12/h4-6,8-9,11H,2-3,7,10H2,1H3,(H,15,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43691
PNG
(3-methyl-5-[(3-methylthiophene-2-carbonyl)amino]th...)
Show SMILES CCOC(=O)c1sc(NC(=O)c2sccc2C)cc1C
Show InChI InChI=1S/C14H15NO3S2/c1-4-18-14(17)12-9(3)7-10(20-12)15-13(16)11-8(2)5-6-19-11/h5-7H,4H2,1-3H3,(H,15,16)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43704
PNG
((2Z)-4,4,4-trifluoro-2-[(4-fluoroanilino)methylene...)
Show SMILES Fc1ccc(cc1)N=CC(C(=O)c1ccco1)C(=O)C(F)(F)F
Show InChI InChI=1S/C15H9F4NO3/c16-9-3-5-10(6-4-9)20-8-11(14(22)15(17,18)19)13(21)12-2-1-7-23-12/h1-8,11H
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43713
PNG
((Z)-3-(3-acetylanilino)-1-(4-methylphenyl)-2-prope...)
Show SMILES CC(=O)c1cccc(c1)N=CCC(=O)c1ccc(C)cc1
Show InChI InChI=1S/C18H17NO2/c1-13-6-8-15(9-7-13)18(21)10-11-19-17-5-3-4-16(12-17)14(2)20/h3-9,11-12H,10H2,1-2H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43722
PNG
(4-(5-formyl-2-furanyl)benzoic acid propyl ester | ...)
Show SMILES CCCOC(=O)c1ccc(cc1)-c1ccc(C=O)o1
Show InChI InChI=1S/C15H14O4/c1-2-9-18-15(17)12-5-3-11(4-6-12)14-8-7-13(10-16)19-14/h3-8,10H,2,9H2,1H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43725
PNG
((3-fluorophenyl)methyl 2-acetamidobenzoate | 2-ace...)
Show SMILES CC(=O)Nc1ccccc1C(=O)OCc1cccc(F)c1
Show InChI InChI=1S/C16H14FNO3/c1-11(19)18-15-8-3-2-7-14(15)16(20)21-10-12-5-4-6-13(17)9-12/h2-9H,10H2,1H3,(H,18,19)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43726
PNG
(MLS000662583 | N-[(4-fluoroanilino)-sulfanylidenem...)
Show SMILES Fc1ccc(NC(=S)NC(=O)c2ccc3OCCOc3c2)cc1
Show InChI InChI=1S/C16H13FN2O3S/c17-11-2-4-12(5-3-11)18-16(23)19-15(20)10-1-6-13-14(9-10)22-8-7-21-13/h1-6,9H,7-8H2,(H2,18,19,20,23)
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43729
PNG
(1-(1-azepanyl)-3-[5-(3-phenylpropyl)-1,3,4-oxadiaz...)
Show SMILES O=C(CCc1nnc(CCCc2ccccc2)o1)N1CCCCCC1
Show InChI InChI=1S/C20H27N3O2/c24-20(23-15-6-1-2-7-16-23)14-13-19-22-21-18(25-19)12-8-11-17-9-4-3-5-10-17/h3-5,9-10H,1-2,6-8,11-16H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43736
PNG
(7-(4-methoxyphenyl)-5-methyl-3-phenyl-pyrazolo[1,5...)
Show SMILES COc1ccc(cc1)-c1cc(C)nc2c(cnn12)-c1ccccc1
Show InChI InChI=1S/C20H17N3O/c1-14-12-19(16-8-10-17(24-2)11-9-16)23-20(22-14)18(13-21-23)15-6-4-3-5-7-15/h3-13H,1-2H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43737
PNG
(1-[3-(2-nitrophenoxy)propyl]-1H-benzimidazole oxal...)
Show SMILES [O-][N+](=O)c1ccccc1OCCCn1cnc2ccccc12
Show InChI InChI=1S/C16H15N3O3/c20-19(21)15-8-3-4-9-16(15)22-11-5-10-18-12-17-13-6-1-2-7-14(13)18/h1-4,6-9,12H,5,10-11H2
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43746
PNG
((E)-3-(3,4-dimethoxyphenyl)-N-phenyl-2-propenamide...)
Show SMILES COc1ccc(\C=C\C(=O)Nc2ccccc2)cc1OC
Show InChI InChI=1S/C17H17NO3/c1-20-15-10-8-13(12-16(15)21-2)9-11-17(19)18-14-6-4-3-5-7-14/h3-12H,1-2H3,(H,18,19)/b11-9+
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43747
PNG
(4-methyl-7-(2-oxidanylidenepropoxy)-3-phenyl-chrom...)
Show SMILES CC(=O)COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1
Show InChI InChI=1S/C19H16O4/c1-12(20)11-22-15-8-9-16-13(2)18(14-6-4-3-5-7-14)19(21)23-17(16)10-15/h3-10H,11H2,1-2H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37010
PNG
(1-(1-allyl-2,5-dimethyl-pyrrol-3-yl)-2-(1,3-benzox...)
Show SMILES Cc1cc(C(=O)CSc2nc3ccccc3o2)c(C)n1CC=C
Show InChI InChI=1S/C18H18N2O2S/c1-4-9-20-12(2)10-14(13(20)3)16(21)11-23-18-19-15-7-5-6-8-17(15)22-18/h4-8,10H,1,9,11H2,2-3H3
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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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43668
PNG
(1,3-benzodioxol-5-yl-(6-methoxy-1,3-benzothiazol-2...)
Show SMILES COc1ccc2nc(Nc3ccc4OCOc4c3)sc2c1
Show InChI InChI=1S/C15H12N2O3S/c1-18-10-3-4-11-14(7-10)21-15(17-11)16-9-2-5-12-13(6-9)20-8-19-12/h2-7H,8H2,1H3,(H,16,17)
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43670
PNG
(MLS000086248 | N-(3-chlorophenyl)-12-keto-7,8,9,10...)
Show SMILES Clc1cccc(NC(=O)c2ccc3c(c2)nc2CCCCCn2c3=O)c1
Show InChI InChI=1S/C20H18ClN3O2/c21-14-5-4-6-15(12-14)22-19(25)13-8-9-16-17(11-13)23-18-7-2-1-3-10-24(18)20(16)26/h4-6,8-9,11-12H,1-3,7,10H2,(H,22,25)
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM37726
PNG
(1-[2-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-4-me...)
Show SMILES COc1ccc2nc(Nc3nc(C)c(s3)C(C)=O)sc2c1
Show InChI InChI=1S/C14H13N3O2S2/c1-7-12(8(2)18)21-13(15-7)17-14-16-10-5-4-9(19-3)6-11(10)20-14/h4-6H,1-3H3,(H,15,16,17)
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43671
PNG
(4-(6-ethoxy-4-methyl-2-quinazolinyl)morpholine | 4...)
Show SMILES CCOc1ccc2nc(nc(C)c2c1)N1CCOCC1
Show InChI InChI=1S/C15H19N3O2/c1-3-20-12-4-5-14-13(10-12)11(2)16-15(17-14)18-6-8-19-9-7-18/h4-5,10H,3,6-9H2,1-2H3
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43675
PNG
(6-[(5-chloranyl-1,3-benzoxazol-2-yl)sulfanylmethyl...)
Show SMILES CN(C)c1nc(N)nc(CSc2nc3cc(Cl)ccc3o2)n1
Show InChI InChI=1S/C13H13ClN6OS/c1-20(2)12-18-10(17-11(15)19-12)6-22-13-16-8-5-7(14)3-4-9(8)21-13/h3-5H,6H2,1-2H3,(H2,15,17,18,19)
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43683
PNG
(6-(1,3-benzoxazol-2-yl)-1,3-benzothiazol-2-amine |...)
Show SMILES Nc1nc2ccc(cc2s1)-c1nc2ccccc2o1
Show InChI InChI=1S/C14H9N3OS/c15-14-17-10-6-5-8(7-12(10)19-14)13-16-9-3-1-2-4-11(9)18-13/h1-7H,(H2,15,17)
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43693
PNG
((2Z)-2-[(4-bromoanilino)methylene]-4,4,4-trifluoro...)
Show SMILES FC(F)(F)C(=O)C(C=Nc1ccc(Br)cc1)C(=O)c1ccco1
Show InChI InChI=1S/C15H9BrF3NO3/c16-9-3-5-10(6-4-9)20-8-11(14(22)15(17,18)19)13(21)12-2-1-7-23-12/h1-8,11H
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43708
PNG
(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2...)
Show SMILES Fc1ccc2nc(Nc3nc4cc5OCCOc5cc4s3)sc2c1
Show InChI InChI=1S/C16H10FN3O2S2/c17-8-1-2-9-13(5-8)23-15(18-9)20-16-19-10-6-11-12(7-14(10)24-16)22-4-3-21-11/h1-2,5-7H,3-4H2,(H,18,19,20)
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43719
PNG
(MLS000677229 | N-[2-(1-cyclohexen-1-yl)ethyl]-4-fl...)
Show SMILES Fc1ccc(cc1)C(=O)NCCC1=CCCCC1
Show InChI InChI=1S/C15H18FNO/c16-14-8-6-13(7-9-14)15(18)17-11-10-12-4-2-1-3-5-12/h4,6-9H,1-3,5,10-11H2,(H,17,18)
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43732
PNG
(1-(4-tert-butylphenyl)-3-(3-methoxyphenyl)urea | M...)
Show SMILES COc1cccc(NC(=O)Nc2ccc(cc2)C(C)(C)C)c1
Show InChI InChI=1S/C18H22N2O2/c1-18(2,3)13-8-10-14(11-9-13)19-17(21)20-15-6-5-7-16(12-15)22-4/h5-12H,1-4H3,(H2,19,20,21)
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM43750
PNG
(MLS000516396 | N-cyclohexyl-5-thiophen-2-yl-6H-1,3...)
Show SMILES C1CCC(CC1)NC1=NN=C(CS1)c1cccs1
Show InChI InChI=1S/C13H17N3S2/c1-2-5-10(6-3-1)14-13-16-15-11(9-18-13)12-7-4-8-17-12/h4,7-8,10H,1-3,5-6,9H2,(H,14,16)
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n/an/an/an/a>5.57E+4n/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/Q2NC5ZMV
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%