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Patent code US10618914

Compile Data Set for Download or QSAR
Found 79 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50190100
PNG
(CHEMBL3827123 | US10618914, Compound 26)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C(C)C)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C20H22N6OS/c1-11(2)18-16(12-7-9-13(27-3)10-8-12)25-26-19(23-24-20(26)28-18)17-14-5-4-6-15(14)21-22-17/h7-11,18H,4-6H2,1-3H3,(H,21,22)
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US Patent
n/an/a 2.20E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189972
PNG
(CHEMBL3828048 | US10618914, Compound 21)
Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1
Show InChI InChI=1S/C20H16N6S/c1-13-18(15-10-6-3-7-11-15)25-26-19(23-24-20(26)27-13)17-12-16(21-22-17)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,22)
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n/an/a 3.40E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189973
PNG
(CHEMBL3827771 | US10618914, Compound 22)
Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccc(F)cc3)n2N=C1c1ccccc1
Show InChI InChI=1S/C20H15FN6S/c1-12-18(14-5-3-2-4-6-14)26-27-19(24-25-20(27)28-12)17-11-16(22-23-17)13-7-9-15(21)10-8-13/h2-12H,1H3,(H,22,23)
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n/an/a 3.80E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438792
PNG
(US10618914, Compound 27)
Show SMILES CCC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(OC)cc1
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n/an/a 4.10E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189974
PNG
(CHEMBL3828152 | US10618914, Compound 23)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)
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n/an/a 4.20E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189986
PNG
(CHEMBL3827273 | US10618914, Compound 25)
Show SMILES CC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl2N6S/c1-9(2)17-15(10-6-7-12(20)13(21)8-10)26-27-18(24-25-19(27)28-17)16-11-4-3-5-14(11)22-23-16/h6-9,17H,3-5H2,1-2H3,(H,22,23)
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n/an/a 4.40E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438793
PNG
(US10618914, Compound 28)
Show SMILES CCC(C)C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1
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n/an/a 5.10E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438758
PNG
(US10618914, Compound UPCDC10305)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1CC(C)C)nnc2-c1[nH]nc2CCCc12
PDB

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n/an/a 5.14E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438788
PNG
(US10618914, Compound 24-1)
Show SMILES COc1ccc(cc1)C1=Nn2c(S[C@@H]1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1
PDB

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n/an/a 5.72E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189923
PNG
(CHEMBL3828058 | US10618914, Compound 1b)
Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H12Cl2N6S/c20-13-7-6-12(8-14(13)21)17-10-28-19-25-24-18(27(19)26-17)16-9-15(22-23-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189922
PNG
(CHEMBL1527817 | US10618914, Compound 1a)
Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C16H12Cl2N6S/c17-10-5-4-8(6-11(10)18)13-7-25-16-22-21-15(24(16)23-13)14-9-2-1-3-12(9)19-20-14/h4-6H,1-3,7H2,(H,19,20)
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n/an/a 6.80E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438757
PNG
(US10618914, Compound UPCDC10281)
Show SMILES CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)cc1
PDB

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n/an/a 7.21E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438794
PNG
(US10618914, Compound 29)
Show SMILES CCCCC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
PDB

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n/an/a 7.50E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189952
PNG
(CHEMBL3827948 | US10618914, Compound 19)
Show SMILES CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N6S/c1-8-14(9-5-6-11(18)12(19)7-9)24-25-16(22-23-17(25)26-8)15-10-3-2-4-13(10)20-21-15/h5-8H,2-4H2,1H3,(H,20,21)
PDB

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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50190100
PNG
(CHEMBL3827123 | US10618914, Compound 26)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C(C)C)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C20H22N6OS/c1-11(2)18-16(12-7-9-13(27-3)10-8-12)25-26-19(23-24-20(26)28-18)17-14-5-4-6-15(14)21-22-17/h7-11,18H,4-6H2,1-3H3,(H,21,22)
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n/an/a 8.47E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189953
PNG
(CHEMBL3827821 | US10618914, Compound 20)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C18H18N6OS/c1-10-15(11-6-8-12(25-2)9-7-11)23-24-17(21-22-18(24)26-10)16-13-4-3-5-14(13)19-20-16/h6-10H,3-5H2,1-2H3,(H,19,20)
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n/an/a 8.78E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189953
PNG
(CHEMBL3827821 | US10618914, Compound 20)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C18H18N6OS/c1-10-15(11-6-8-12(25-2)9-7-11)23-24-17(21-22-18(24)26-10)16-13-4-3-5-14(13)19-20-16/h6-10H,3-5H2,1-2H3,(H,19,20)
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n/an/a 9.10E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189933
PNG
(CHEMBL3828202 | US10618914, Compound 10a)
Show SMILES Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C14H11ClN6S2/c15-11-5-4-10(23-11)9-6-22-14-19-18-13(21(14)20-9)12-7-2-1-3-8(7)16-17-12/h4-5H,1-3,6H2,(H,16,17)
PDB

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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189934
PNG
(CHEMBL3828691 | US10618914, Compound 10b)
Show SMILES Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H11ClN6S2/c18-15-7-6-14(26-15)13-9-25-17-22-21-16(24(17)23-13)12-8-11(19-20-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
PDB

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n/an/a 1.10E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189975
PNG
(CHEMBL3828160 | US10618914, Compound 24)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)
PDB

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n/an/a 1.14E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438760
PNG
(US10618914, Compound UPCDC10332)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2C(C)C
Show InChI InChI=1S/C15H18N4OS/c1-9(2)14-16-17-15-19(14)18-13(10(3)21-15)11-5-7-12(20-4)8-6-11/h5-10H,1-4H3
PDB

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n/an/a 1.43E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189972
PNG
(CHEMBL3828048 | US10618914, Compound 21)
Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1
Show InChI InChI=1S/C20H16N6S/c1-13-18(15-10-6-3-7-11-15)25-26-19(23-24-20(26)27-13)17-12-16(21-22-17)14-8-4-2-5-9-14/h2-13H,1H3,(H,21,22)
PDB
MMDB

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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438752
PNG
(US10618914, Compound UPCDC10073)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCCc12
Show InChI InChI=1S/C18H18N6OS/c1-25-12-8-6-11(7-9-12)15-10-26-18-22-21-17(24(18)23-15)16-13-4-2-3-5-14(13)19-20-16/h6-9H,2-5,10H2,1H3,(H,19,20)
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n/an/a 1.70E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438789
PNG
(US10618914, Compound 24-2)
Show SMILES COc1ccc(cc1)C1=Nn2c(S[C@H]1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1
PDB

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n/an/a 1.73E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189930
PNG
(CHEMBL3828475 | US10618914, Compound 8b)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H16N6OS/c1-27-15-9-7-14(8-10-15)18-12-28-20-24-23-19(26(20)25-18)17-11-16(21-22-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22)
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n/an/a 1.79E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189929
PNG
(CHEMBL3827328 | US10618914, Compound 8a)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C17H16N6OS/c1-24-11-7-5-10(6-8-11)14-9-25-17-21-20-16(23(17)22-14)15-12-3-2-4-13(12)18-19-15/h5-8H,2-4,9H2,1H3,(H,18,19)
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n/an/a 1.79E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50190106
PNG
(CHEMBL3827607 | US10618914, Compound 32)
Show SMILES CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)
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n/an/a 1.86E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50190104
PNG
(CHEMBL3828053 | US10618914, Compound 30)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1CCN)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C22H21N7OS/c1-30-16-9-7-15(8-10-16)20-19(11-12-23)31-22-27-26-21(29(22)28-20)18-13-17(24-25-18)14-5-3-2-4-6-14/h2-10,13,19H,11-12,23H2,1H3,(H,24,25)
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n/an/a>2.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438769
PNG
(US10618914, Compound 7b)
Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1
Show InChI InChI=1S/C19H14N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)
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n/an/a 2.12E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189925
PNG
(CHEMBL3828538 | US10618914, Compound 6a)
Show SMILES Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C16H13ClN6S/c17-10-4-1-3-9(7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-5-2-6-12(11)18-19-14/h1,3-4,7H,2,5-6,8H2,(H,18,19)
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n/an/a 2.12E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189926
PNG
(CHEMBL3828159 | US10618914, Compound 6b)
Show SMILES Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H13ClN6S/c20-14-8-4-7-13(9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,22)
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n/an/a 2.12E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189927
PNG
(CHEMBL1564640 | US10618914, Compound 7a)
Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1
Show InChI InChI=1S/C16H14N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h1-3,5-6H,4,7-9H2,(H,17,18)
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n/an/a 2.12E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438753
PNG
(US10618914, Compound UPCDC10084)
Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCCc12
Show InChI InChI=1S/C17H15ClN6S/c18-11-7-5-10(6-8-11)14-9-25-17-22-21-16(24(17)23-14)15-12-3-1-2-4-13(12)19-20-15/h5-8H,1-4,9H2,(H,19,20)
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n/an/a 2.13E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189924
PNG
(CHEMBL1342513 | US10618914, Compound 2a)
Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C16H13ClN6S/c17-10-6-4-9(5-7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-2-1-3-12(11)18-19-14/h4-7H,1-3,8H2,(H,18,19)
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n/an/a 2.68E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438765
PNG
(US10618914, Compound 2b)
Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)
PDB

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n/an/a 2.68E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438761
PNG
(US10618914, Compound UPCDC10352)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1ccccc1
Show InChI InChI=1S/C18H16N4OS/c1-12-16(13-8-10-15(23-2)11-9-13)21-22-17(19-20-18(22)24-12)14-6-4-3-5-7-14/h3-12H,1-2H3
PDB

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n/an/a 2.76E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189975
PNG
(CHEMBL3828160 | US10618914, Compound 24)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C21H17ClN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)
PDB
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n/an/a 2.95E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189974
PNG
(CHEMBL3828152 | US10618914, Compound 23)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN6OS/c1-12-19(14-5-9-16(29-2)10-6-14)27-28-20(25-26-21(28)30-12)18-11-17(23-24-18)13-3-7-15(22)8-4-13/h3-12H,1-2H3,(H,23,24)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189945
PNG
(CHEMBL3828502 | US10618914, Compound 13a)
Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)C1CCCCC1
Show InChI InChI=1S/C16H20N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h10H,1-9H2,(H,17,18)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189946
PNG
(CHEMBL3827868 | US10618914, Compound 13b)
Show SMILES C1CCC(CC1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H20N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,20,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189973
PNG
(CHEMBL3827771 | US10618914, Compound 22)
Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccc(F)cc3)n2N=C1c1ccccc1
Show InChI InChI=1S/C20H15FN6S/c1-12-18(14-5-3-2-4-6-14)26-27-19(24-25-20(27)28-12)17-11-16(22-23-17)13-7-9-15(21)10-8-13/h2-12H,1H3,(H,22,23)
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n/an/a>3.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189929
PNG
(CHEMBL3827328 | US10618914, Compound 8a)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C17H16N6OS/c1-24-11-7-5-10(6-8-11)14-9-25-17-21-20-16(23(17)22-14)15-12-3-2-4-13(12)18-19-15/h5-8H,2-4,9H2,1H3,(H,18,19)
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n/an/a 3.59E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438755
PNG
(US10618914, Compound UPCDC10115)
Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1c[nH]c2ccccc12
Show InChI InChI=1S/C18H15N7S/c1-2-6-13-10(4-1)12(8-19-13)15-9-26-18-23-22-17(25(18)24-15)16-11-5-3-7-14(11)20-21-16/h1-2,4,6,8,19H,3,5,7,9H2,(H,20,21)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189924
PNG
(CHEMBL1342513 | US10618914, Compound 2a)
Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C16H13ClN6S/c17-10-6-4-9(5-7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-2-1-3-12(11)18-19-14/h4-7H,1-3,8H2,(H,18,19)
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n/an/a 4.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189930
PNG
(CHEMBL3828475 | US10618914, Compound 8b)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C20H16N6OS/c1-27-15-9-7-14(8-10-15)18-12-28-20-24-23-19(26(20)25-18)17-11-16(21-22-17)13-5-3-2-4-6-13/h2-11H,12H2,1H3,(H,21,22)
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n/an/a 4.06E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189929
PNG
(CHEMBL3827328 | US10618914, Compound 8a)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C17H16N6OS/c1-24-11-7-5-10(6-8-11)14-9-25-17-21-20-16(23(17)22-14)15-12-3-2-4-13(12)18-19-15/h5-8H,2-4,9H2,1H3,(H,18,19)
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n/an/a 4.06E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189925
PNG
(CHEMBL3828538 | US10618914, Compound 6a)
Show SMILES Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C16H13ClN6S/c17-10-4-1-3-9(7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-5-2-6-12(11)18-19-14/h1,3-4,7H,2,5-6,8H2,(H,18,19)
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n/an/a>4.59E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189926
PNG
(CHEMBL3828159 | US10618914, Compound 6b)
Show SMILES Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H13ClN6S/c20-14-8-4-7-13(9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-5-2-1-3-6-12/h1-10H,11H2,(H,21,22)
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n/an/a>4.59E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189945
PNG
(CHEMBL3828502 | US10618914, Compound 13a)
Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)C1CCCCC1
Show InChI InChI=1S/C16H20N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h10H,1-9H2,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189935
PNG
(CHEMBL3828447 | US10618914, Compound 11a)
Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC=Nn12
Show InChI InChI=1S/C10H10N6S/c1-2-6-7(3-1)12-13-8(6)9-14-15-10-16(9)11-4-5-17-10/h4H,1-3,5H2,(H,12,13)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189923
PNG
(CHEMBL3828058 | US10618914, Compound 1b)
Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H12Cl2N6S/c20-13-7-6-12(8-14(13)21)17-10-28-19-25-24-18(27(19)26-17)16-9-15(22-23-16)11-4-2-1-3-5-11/h1-9H,10H2,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM438793
PNG
(US10618914, Compound 28)
Show SMILES CCC(C)C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM438792
PNG
(US10618914, Compound 27)
Show SMILES CCC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(OC)cc1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189936
PNG
(CHEMBL3827729 | US10618914, Compound 11b)
Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1
Show InChI InChI=1S/C13H10N6S/c1-2-4-9(5-3-1)10-8-11(16-15-10)12-17-18-13-19(12)14-6-7-20-13/h1-6,8H,7H2,(H,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189931
PNG
(CHEMBL3828577 | US10618914, Compound 9a)
Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccncc1
Show InChI InChI=1S/C15H13N7S/c1-2-10-11(3-1)17-18-13(10)14-19-20-15-22(14)21-12(8-23-15)9-4-6-16-7-5-9/h4-7H,1-3,8H2,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189946
PNG
(CHEMBL3827868 | US10618914, Compound 13b)
Show SMILES C1CCC(CC1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H20N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1,3-4,7-8,11,14H,2,5-6,9-10,12H2,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189936
PNG
(CHEMBL3827729 | US10618914, Compound 11b)
Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1
Show InChI InChI=1S/C13H10N6S/c1-2-4-9(5-3-1)10-8-11(16-15-10)12-17-18-13-19(12)14-6-7-20-13/h1-6,8H,7H2,(H,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189935
PNG
(CHEMBL3828447 | US10618914, Compound 11a)
Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC=Nn12
Show InChI InChI=1S/C10H10N6S/c1-2-6-7(3-1)12-13-8(6)9-14-15-10-16(9)11-4-5-17-10/h4H,1-3,5H2,(H,12,13)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189932
PNG
(CHEMBL3827646 | US10618914, Compound 9b)
Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccncc1
Show InChI InChI=1S/C18H13N7S/c1-2-4-12(5-3-1)14-10-15(21-20-14)17-22-23-18-25(17)24-16(11-26-18)13-6-8-19-9-7-13/h1-10H,11H2,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189932
PNG
(CHEMBL3827646 | US10618914, Compound 9b)
Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccncc1
Show InChI InChI=1S/C18H13N7S/c1-2-4-12(5-3-1)14-10-15(21-20-14)17-22-23-18-25(17)24-16(11-26-18)13-6-8-19-9-7-13/h1-10H,11H2,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189927
PNG
(CHEMBL1564640 | US10618914, Compound 7a)
Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1
Show InChI InChI=1S/C16H14N6S/c1-2-5-10(6-3-1)13-9-23-16-20-19-15(22(16)21-13)14-11-7-4-8-12(11)17-18-14/h1-3,5-6H,4,7-9H2,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189953
PNG
(CHEMBL3827821 | US10618914, Compound 20)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C18H18N6OS/c1-10-15(11-6-8-12(25-2)9-7-11)23-24-17(21-22-18(24)26-10)16-13-4-3-5-14(13)19-20-16/h6-10H,3-5H2,1-2H3,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189943
PNG
(CHEMBL1432718 | US10618914, Compound 12a)
Show SMILES CC1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C11H12N6S/c1-6-5-18-11-15-14-10(17(11)16-6)9-7-3-2-4-8(7)12-13-9/h2-5H2,1H3,(H,12,13)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189933
PNG
(CHEMBL3828202 | US10618914, Compound 10a)
Show SMILES Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C14H11ClN6S2/c15-11-5-4-10(23-11)9-6-22-14-19-18-13(21(14)20-9)12-7-2-1-3-8(7)16-17-12/h4-5H,1-3,6H2,(H,16,17)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189931
PNG
(CHEMBL3828577 | US10618914, Compound 9a)
Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccncc1
Show InChI InChI=1S/C15H13N7S/c1-2-10-11(3-1)17-18-13(10)14-19-20-15-22(14)21-12(8-23-15)9-4-6-16-7-5-9/h4-7H,1-3,8H2,(H,17,18)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50190106
PNG
(CHEMBL3827607 | US10618914, Compound 32)
Show SMILES CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C18H16Cl2N6S/c1-18(2)15(9-6-7-11(19)12(20)8-9)25-26-16(23-24-17(26)27-18)14-10-4-3-5-13(10)21-22-14/h6-8H,3-5H2,1-2H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50190100
PNG
(CHEMBL3827123 | US10618914, Compound 26)
Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C(C)C)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C20H22N6OS/c1-11(2)18-16(12-7-9-13(27-3)10-8-12)25-26-19(23-24-20(26)28-18)17-14-5-4-6-15(14)21-22-17/h7-11,18H,4-6H2,1-3H3,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189952
PNG
(CHEMBL3827948 | US10618914, Compound 19)
Show SMILES CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C17H14Cl2N6S/c1-8-14(9-5-6-11(18)12(19)7-9)24-25-16(22-23-17(25)26-8)15-10-3-2-4-13(10)20-21-15/h5-8H,2-4H2,1H3,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM438779
PNG
(US10618914, Compound 12b)
Show SMILES CC1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C14H12N6S/c1-9-8-21-14-18-17-13(20(14)19-9)12-7-11(15-16-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189922
PNG
(CHEMBL1527817 | US10618914, Compound 1a)
Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C16H12Cl2N6S/c17-10-5-4-8(6-11(10)18)13-7-25-16-22-21-15(24(16)23-13)14-9-2-1-3-12(9)19-20-14/h4-6H,1-3,7H2,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50190105
PNG
(CHEMBL3827269 | US10618914, Compound 31)
Show SMILES COCCC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1
Show InChI InChI=1S/C23H22N6O2S/c1-30-13-12-20-21(16-8-10-17(31-2)11-9-16)28-29-22(26-27-23(29)32-20)19-14-18(24-25-19)15-6-4-3-5-7-15/h3-11,14,20H,12-13H2,1-2H3,(H,24,25)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189943
PNG
(CHEMBL1432718 | US10618914, Compound 12a)
Show SMILES CC1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C11H12N6S/c1-6-5-18-11-15-14-10(17(11)16-6)9-7-3-2-4-8(7)12-13-9/h2-5H2,1H3,(H,12,13)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM438769
PNG
(US10618914, Compound 7b)
Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1
Show InChI InChI=1S/C19H14N6S/c1-3-7-13(8-4-1)15-11-16(21-20-15)18-22-23-19-25(18)24-17(12-26-19)14-9-5-2-6-10-14/h1-11H,12H2,(H,20,21)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189986
PNG
(CHEMBL3827273 | US10618914, Compound 25)
Show SMILES CC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C19H18Cl2N6S/c1-9(2)17-15(10-6-7-12(20)13(21)8-10)26-27-18(24-25-19(27)28-17)16-11-4-3-5-14(11)22-23-16/h6-9,17H,3-5H2,1-2H3,(H,22,23)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM438794
PNG
(US10618914, Compound 29)
Show SMILES CCCCC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM438779
PNG
(US10618914, Compound 12b)
Show SMILES CC1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C14H12N6S/c1-9-8-21-14-18-17-13(20(14)19-9)12-7-11(15-16-12)10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,15,16)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189934
PNG
(CHEMBL3828691 | US10618914, Compound 10b)
Show SMILES Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C17H11ClN6S2/c18-15-7-6-14(26-15)13-9-25-17-22-21-16(24(17)23-13)12-8-11(19-20-12)10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50189924
PNG
(CHEMBL1342513 | US10618914, Compound 2a)
Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12
Show InChI InChI=1S/C16H13ClN6S/c17-10-6-4-9(5-7-10)13-8-24-16-21-20-15(23(16)22-13)14-11-2-1-3-12(11)18-19-14/h4-7H,1-3,8H2,(H,18,19)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM438765
PNG
(US10618914, Compound 2b)
Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1
Show InChI InChI=1S/C19H13ClN6S/c20-14-8-6-13(7-9-14)17-11-27-19-24-23-18(26(19)25-17)16-10-15(21-22-16)12-4-2-1-3-5-12/h1-10H,11H2,(H,21,22)
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n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


Assay Description
Compound samples (in 3-5 mg quantities) were evaluated in a variety of assays. All compound submissions were fully characterized (1H, 13C, IR, HRMS),...


US Patent US10618914 (2020)


Article DOI: null
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%