Found 73 hits of Enzyme Inhibition Constant Data 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
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B.MOAD
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AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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B.MOAD
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50190101
(CHEMBL3827334 | US11111253, Compound 27)Show SMILES CC(C)CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:22| Show InChI InChI=1S/C20H20Cl2N6S/c1-10(2)8-16-17(11-6-7-13(21)14(22)9-11)27-28-19(25-26-20(28)29-16)18-12-4-3-5-15(12)23-24-18/h6-7,9-10,16H,3-5,8H2,1-2H3,(H,23,24) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50190102
(CHEMBL3828107 | US11111253, Compound 28)Show SMILES COc1ccc(cc1)C1=Nn2c(SC1CC(C)C)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9| Show InChI InChI=1S/C24H24N6OS/c1-15(2)13-21-22(17-9-11-18(31-3)12-10-17)29-30-23(27-28-24(30)32-21)20-14-19(25-26-20)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,25,26) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 6.80E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189949
(CHEMBL3827535)Show SMILES Fc1ccc(cc1)-c1cc([nH]n1)-c1nnc2SCC(=Nn12)c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C19H11Cl2FN6S/c20-13-6-3-11(7-14(13)21)17-9-29-19-26-25-18(28(19)27-17)16-8-15(23-24-16)10-1-4-12(22)5-2-10/h1-8H,9H2,(H,23,24) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50190103
(CHEMBL3827967 | US11111253, Compound UPCDC10308)Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1Cc1ccccc1)nnc2-c1[nH]nc2CCCc12 |t:9| Show InChI InChI=1S/C23H18Cl2N6S/c24-16-10-9-14(12-17(16)25)20-19(11-13-5-2-1-3-6-13)32-23-29-28-22(31(23)30-20)21-15-7-4-8-18(15)26-27-21/h1-3,5-6,9-10,12,19H,4,7-8,11H2,(H,26,27) | PDB
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM79531
(6-(4-Chloro-phenyl)-3-(5-phenyl-2H-pyrazol-3-yl)-7...)Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc([nH]n1)-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
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.14E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189950
(CHEMBL3827290)Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)-c1nnc2SCC(=Nn12)c1ccc(Cl)c(Cl)c1 |c:20| Show InChI InChI=1S/C19H11Cl3N6S/c20-12-4-1-10(2-5-12)15-8-16(24-23-15)18-25-26-19-28(18)27-17(9-29-19)11-3-6-13(21)14(22)7-11/h1-8H,9H2,(H,23,24) | PDB
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PubMed
| n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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UniChem
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| Article
PubMed
| n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189951
(CHEMBL3827557)Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCCc12 |t:9| Show InChI InChI=1S/C17H14Cl2N6S/c18-11-6-5-9(7-12(11)19)14-8-26-17-23-22-16(25(17)24-14)15-10-3-1-2-4-13(10)20-21-15/h5-7H,1-4,8H2,(H,20,21) | PDB
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| n/a | n/a | 1.55E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| n/a | n/a | 1.79E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| n/a | n/a | 1.86E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| n/a | n/a | >2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| n/a | n/a | 2.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| n/a | n/a | 2.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| Article
PubMed
| n/a | n/a | 2.68E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189928
(CHEMBL1425853)Show SMILES C1Sc2nnc(-c3cc([nH]n3)-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
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| n/a | n/a | 2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
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UniChem
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PubMed
| n/a | n/a | 2.95E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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UniChem
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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UniChem
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PubMed
| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| Article
PubMed
| n/a | n/a | 3.12E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 4.06E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 4.59E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50189935
(CHEMBL3828447 | US10618914, Compound 11a | US11111...)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) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189948
(CHEMBL3828587)Show SMILES COc1ccc(cc1)C1CSc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N1C(C)=O Show InChI InChI=1S/C22H20N6O2S/c1-14(29)27-20(16-8-10-17(30-2)11-9-16)13-31-22-26-25-21(28(22)27)19-12-18(23-24-19)15-6-4-3-5-7-15/h3-12,20H,13H2,1-2H3,(H,23,24) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189943
(CHEMBL1432718 | US10618914, Compound 12a | US11111...)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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189935
(CHEMBL3828447 | US10618914, Compound 11a | US11111...)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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189936
(CHEMBL3827729 | US10618914, Compound 11b | US11111...)Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1 |c:21| 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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50190105
(CHEMBL3827269 | US10618914, Compound 31)Show SMILES COCCC1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccc(OC)cc1 |c:25| 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) | PDB
KEGG
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50189932
(CHEMBL3827646 | US10618914, Compound 9b | US111112...)Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccncc1 |c:21| 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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50190102
(CHEMBL3828107 | US11111253, Compound 28)Show SMILES COc1ccc(cc1)C1=Nn2c(SC1CC(C)C)nnc2-c1cc(n[nH]1)-c1ccccc1 |t:9| Show InChI InChI=1S/C24H24N6OS/c1-15(2)13-21-22(17-9-11-18(31-3)12-10-17)29-30-23(27-28-24(30)32-21)20-14-19(25-26-20)16-7-5-4-6-8-16/h4-12,14-15,21H,13H2,1-3H3,(H,25,26) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189931
(CHEMBL3828577 | US10618914, Compound 9a | US111112...)Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccncc1 |c:16| 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) | PDB
KEGG
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GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50189928
(CHEMBL1425853)Show SMILES C1Sc2nnc(-c3cc([nH]n3)-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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189932
(CHEMBL3827646 | US10618914, Compound 9b | US111112...)Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1c1ccncc1 |c:21| 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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50189931
(CHEMBL3828577 | US10618914, Compound 9a | US111112...)Show SMILES C1Cc2n[nH]c(c2C1)-c1nnc2SCC(=Nn12)c1ccncc1 |c:16| 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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM79531
(6-(4-Chloro-phenyl)-3-(5-phenyl-2H-pyrazol-3-yl)-7...)Show SMILES Clc1ccc(cc1)C1=Nn2c(SC1)nnc2-c1cc([nH]n1)-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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50190101
(CHEMBL3827334 | US11111253, Compound 27)Show SMILES CC(C)CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1 |c:22| Show InChI InChI=1S/C20H20Cl2N6S/c1-10(2)8-16-17(11-6-7-13(21)14(22)9-11)27-28-19(25-26-20(28)29-16)18-12-4-3-5-15(12)23-24-18/h6-7,9-10,16H,3-5,8H2,1-2H3,(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
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50189944
(CHEMBL1417722)Show SMILES CC1=Nn2c(SC1)nnc2-c1cc([nH]n1)-c1ccccc1 |t:1| 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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50189943
(CHEMBL1432718 | US10618914, Compound 12a | US11111...)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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50189936
(CHEMBL3827729 | US10618914, Compound 11b | US11111...)Show SMILES C1Sc2nnc(-c3cc(n[nH]3)-c3ccccc3)n2N=C1 |c:21| 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) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189944
(CHEMBL1417722)Show SMILES CC1=Nn2c(SC1)nnc2-c1cc([nH]n1)-c1ccccc1 |t:1| 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) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(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
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 1-alpha/beta
(Homo sapiens (Human)) | BDBM50190103
(CHEMBL3827967 | US11111253, Compound UPCDC10308)Show SMILES Clc1ccc(cc1Cl)C1=Nn2c(SC1Cc1ccccc1)nnc2-c1[nH]nc2CCCc12 |t:9| Show InChI InChI=1S/C23H18Cl2N6S/c24-16-10-9-14(12-17(16)25)20-19(11-13-5-2-1-3-6-13)32-23-29-28-22(31(23)30-20)21-15-7-4-8-18(15)26-27-21/h1-3,5-6,9-10,12,19H,4,7-8,11H2,(H,26,27) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IFNgamma-induced STAT1 (unknown origin) |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
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
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
Signal transducer and activator of transcription 3
(Homo sapiens (Human)) | BDBM50189947
(CHEMBL3828474)Show SMILES COc1ccc(cc1)C1CSc2nnc(-c3[nH]nc4CCCc34)n2N1 Show InChI InChI=1S/C17H18N6OS/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/h5-8,14,22H,2-4,9H2,1H3,(H,18,19) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pittsburgh Chemical Diversity Center
Curated by ChEMBL
| Assay Description
Inhibition of IL6-induced STAT3 in human CAL33 cells |
Bioorg Med Chem Lett 26: 3581-5 (2016)
Article DOI: 10.1016/j.bmcl.2016.06.017
BindingDB Entry DOI: 10.7270/Q2ZK5JMR |
More data for this
Ligand-Target Pair | |
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