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SMILES: CCCCCNc1nc(N(C)Cc2ccco2)c2ncn(CC(O)=O)c2n1

InChI Key: InChIKey=BZGYKXPDINZMSN-UHFFFAOYSA-N

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50335417   
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


(Mus musculus (mouse))
BDBM50335417
PNG
(2-(6-((furan-2-ylmethyl)(methyl)amino)-2-(pentylam...)
Show SMILES CCCCCNc1nc(N(C)Cc2ccco2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C18H24N6O3/c1-3-4-5-8-19-18-21-16(23(2)10-13-7-6-9-27-13)15-17(22-18)24(12-20-15)11-14(25)26/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,25,26)(H,19,21,22)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/an/a 3.64E+4n/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity to mouse Stat3 by surface plasmon resonance assay


ACS Med Chem Lett 2: 79-84 (2011)


Article DOI: 10.1021/ml100224d
BindingDB Entry DOI: 10.7270/Q2251K45
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Mus musculus (mouse))
BDBM50335417
PNG
(2-(6-((furan-2-ylmethyl)(methyl)amino)-2-(pentylam...)
Show SMILES CCCCCNc1nc(N(C)Cc2ccco2)c2ncn(CC(O)=O)c2n1
Show InChI InChI=1S/C18H24N6O3/c1-3-4-5-8-19-18-21-16(23(2)10-13-7-6-9-27-13)15-17(22-18)24(12-20-15)11-14(25)26/h6-7,9,12H,3-5,8,10-11H2,1-2H3,(H,25,26)(H,19,21,22)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of mouse Stat3 DNA binding activity by EMSA


ACS Med Chem Lett 2: 79-84 (2011)


Article DOI: 10.1021/ml100224d
BindingDB Entry DOI: 10.7270/Q2251K45
More data for this
Ligand-Target Pair