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BDBM50190101 CHEMBL3827334

SMILES: CC(C)CC1Sc2nnc(-c3[nH]nc4CCCc34)n2N=C1c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=TWKJMYNCQSTQIM-UHFFFAOYSA-N

Data: 2 IC50

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 5 hits for monomerid = 50190101   
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))
BDBM50190101
PNG
(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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 4.10E+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
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50190101
PNG
(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/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
Transcription Factor STAT1


(Homo sapiens (Human))
BDBM50190101
PNG
(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

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))
BDBM50190101
PNG
(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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 4.10E+3n/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))
BDBM50190101
PNG
(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

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

n/an/a 2.71E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair