Compile Data Set for Download or QSAR

Found 79 hits Enz. Inhib. hit(s) with all data for entry = 9065   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190100 (CHEMBL3827123 | US10618914, Compound 26 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C(C)C)nnc2-c1[nH]nc2CCCc12 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189972 (CHEMBL3828048 | US10618914, Compound 21 | US111112...) Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1 |c:22| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189973 (CHEMBL3827771 | US10618914, Compound 22 | US111112...) Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccc(F)cc3)n2N=C1c1ccccc1 |c:23| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438792 (US10618914, Compound 27) Show SMILES CCC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(OC)cc1 |c:22| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189974 (CHEMBL3828152 | US10618914, Compound 23 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(F)cc1 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189986 (CHEMBL3827273 | US10618914, Compound 25 | US111112...) Show SMILES CC(C)C1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:21| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438793 (US10618914, Compound 28) Show SMILES CCC(C)C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1 |c:25| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438758 (US10618914, Compound UPCDC10305 | US11111253, Comp...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1CC(C)C)nnc2-c1[nH]nc2CCCc12 |t:9| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.14E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438788 (US10618914, Compound 24-1 | US11111253, Compound 2...) Show SMILES COc1ccc(cc1)C1=Nn2c(S[C@@H]1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1 |r,t:9| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.72E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189922 (CHEMBL1527817 | US10618914, Compound 1a | US111112...) Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189923 (CHEMBL3828058 | US10618914, Compound 1b | US111112...) Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438757 (US10618914, Compound UPCDC10281 | US11111253, Comp...) Show SMILES CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)cc1 |c:19| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.21E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438794 (US10618914, Compound 29) Show SMILES CCCCC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:22| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189952 (CHEMBL3827948 | US10618914, Compound 19 | US111112...) Show SMILES CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:19| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.20E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190100 (CHEMBL3827123 | US10618914, Compound 26 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C(C)C)nnc2-c1[nH]nc2CCCc12 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.47E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189953 (CHEMBL3827821 | US10618914, Compound 20 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1[nH]nc2CCCc12 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.78E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189953 (CHEMBL3827821 | US10618914, Compound 20 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1[nH]nc2CCCc12 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.10E+3	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189934 (CHEMBL3828691 | US10618914, Compound 10b | US11111...) Show SMILES Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:7| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189933 (CHEMBL3828202 | US10618914, Compound 10a | US11111...) Show SMILES Clc1ccc(s1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:7| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189975 (CHEMBL3828160 | US10618914, Compound 24 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1 |t:9| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.14E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438760 (US10618914, Compound UPCDC10332 | US11111253, Comp...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2C(C)C |t:9| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.43E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189972 (CHEMBL3828048 | US10618914, Compound 21 | US111112...) Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1 |c:22| 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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438752 (US10618914, Compound UPCDC10073 | US11111253, Comp...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCCc12 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438789 (US10618914, Compound 24-2) Show SMILES COc1ccc(cc1)C1=Nn2c(S[C@H]1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1 |r,t:9| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.73E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189929 (CHEMBL3827328 | US10618914, Compound 8a | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189930 (CHEMBL3828475 | US10618914, Compound 8b | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	1.79E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190106 (CHEMBL3827607 | US10618914, Compound 32 | US111112...) Show SMILES CC1(C)Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:20| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50190104 (CHEMBL3828053 | US10618914, Compound 30 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1CCN)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189925 (CHEMBL3828538 | US10618914, Compound 6a | US111112...) Show SMILES Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:8| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189927 (CHEMBL1564640 | US10618914, Compound 7a | US111112...) Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccccc1 |c:16| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189926 (CHEMBL3828159 | US10618914, Compound 6b | US111112...) Show SMILES Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438769 (US10618914, Compound 7b | US11111253, Compound 7b) Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccccc1 |c:21| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.12E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438753 (US10618914, Compound UPCDC10084 | US11111253, Comp...) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCCc12 |t:8| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.13E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189924 (CHEMBL1342513 | US10618914, Compound 2a | US111112...) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:8| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438765 (US10618914, Compound 2b | US11111253, Compound 2b) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.68E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438761 (US10618914, Compound UPCDC10352 | US11111253, Comp...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1ccccc1 |t:9| 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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.76E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189975 (CHEMBL3828160 | US10618914, Compound 24 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(Cl)cc1 |t:9| 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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189974 (CHEMBL3828152 | US10618914, Compound 23 | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1C)nnc2-c1cc(n[nH]1)-c1ccc(F)cc1 |t:9| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189973 (CHEMBL3827771 | US10618914, Compound 22 | US111112...) Show SMILES CC1Sc2nnc(-c3cc(n[nH]3)-c3ccc(F)cc3)n2N=C1c1ccccc1 |c:23| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189946 (CHEMBL3827868 | US10618914, Compound 13b | US11111...) Show SMILES C1CCC(CC1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:7| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189945 (CHEMBL3828502 | US10618914, Compound 13a | US11111...) Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)C1CCCCC1 |c:16| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189929 (CHEMBL3827328 | US10618914, Compound 8a | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:9| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3.59E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM438755 (US10618914, Compound UPCDC10115 | US11111253, Comp...) Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1c[nH]c2ccccc12 |c:16| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 3 (Homo sapiens (Human))	BDBM50189924 (CHEMBL1342513 | US10618914, Compound 2a | US111112...) Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:8| 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)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189929 (CHEMBL3827328 | US10618914, Compound 8a | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:9| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	4.06E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189930 (CHEMBL3828475 | US10618914, Compound 8b | US111112...) Show SMILES COc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	4.06E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189926 (CHEMBL3828159 | US10618914, Compound 6b | US111112...) Show SMILES Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:8| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	US Patent	n/a	n/a	>4.59E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189925 (CHEMBL3828538 | US10618914, Compound 6a | US111112...) Show SMILES Clc1cccc(c1)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:8| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	>4.59E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189922 (CHEMBL1527817 | US10618914, Compound 1a | US111112...) Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12 |t:9| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta (Homo sapiens (Human))	BDBM50189923 (CHEMBL3828058 | US10618914, Compound 1b | US111112...) Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9| 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)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/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) BindingDB Entry DOI: 10.7270/Q2J38WMG
					More data for this Ligand-Target Pair

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