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SMILES: Clc1ccc(cc1Cl)C1=Nn2c(SC1)nnc2-c1[nH]nc2CCCc12

InChI Key: InChIKey=AKVGDCSDHQWUBP-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50189922   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189922
PNG
(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)
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PC sid
UniChem
Article
PubMed
n/an/a 6.80E+3n/an/an/an/an/an/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))
BDBM50189922
PNG
(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)
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n/an/a>5.00E+4n/an/an/an/an/an/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))
BDBM50189922
PNG
(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)
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US Patent
n/an/a 6.80E+3n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


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


US Patent US10618914 (2020)

More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50189922
PNG
(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)
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n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189922
PNG
(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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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
n/an/a 6.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50189922
PNG
(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)
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PC cid
PC sid
UniChem
n/an/a>5.00E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50189922
PNG
(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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UniProtKB/SwissProt

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem
n/an/a 6.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 1-alpha/beta


(Homo sapiens (Human))
BDBM50189922
PNG
(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
US Patent
n/an/a>5.00E+4n/an/an/an/an/an/a



University of Pittsburgh—Of the Commonwealth System of Higher Education

US Patent


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


US Patent US10618914 (2020)

More data for this
Ligand-Target Pair