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PubChem AID 434940

Compile data set for download or QSAR
Found 13 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
More data for this
Ligand-Target Pair
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

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 (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
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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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 (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM68332
PNG
(7-(4-fluorophenyl)-5-methyl-3-phenyl-pyrazolo[1,5-...)
Show SMILES Cc1cc(-c2ccc(F)cc2)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C19H14FN3/c1-13-11-18(15-7-9-16(20)10-8-15)23-19(22-13)17(12-21-23)14-5-3-2-4-6-14/h2-12H,1H3
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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 (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM68333
PNG
(5-methyl-3-phenyl-7-(4-pyridyl)pyrazolo[1,5-a]pyri...)
Show SMILES Cc1cc(-c2ccncc2)n2ncc(-c3ccccc3)c2n1
Show InChI InChI=1S/C18H14N4/c1-13-11-17(15-7-9-19-10-8-15)22-18(21-13)16(12-20-22)14-5-3-2-4-6-14/h2-12H,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 (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
More data for this
Ligand-Target Pair
STAT3


(Homo sapiens)
BDBM68331
PNG
(N-(1,3-benzothiazol-2-yl)-1-benzothiophene-2-carbo...)
Show SMILES O=C(Nc1nc2ccccc2s1)c1cc2ccccc2s1
Show InChI InChI=1S/C16H10N2OS2/c19-15(14-9-10-5-1-3-7-12(10)20-14)18-16-17-11-6-2-4-8-13(11)21-16/h1-9H,(H,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 (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
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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n/an/an/an/a>25.5n/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 (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
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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Assay Description
Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Center Affiliation: The Scripps Research Institute (TSRI) Assay...


PubChem Bioassay (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
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 (2010)


BindingDB Entry DOI: 10.7270/Q2BV7F28
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%