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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50001756   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50366601
PNG
(CHEMBL4171066)
Show SMILES CC(=O)c1cc2c(o1)-c1ccccc1C(=O)C2=O
Show InChI InChI=1S/C14H8O4/c1-7(15)11-6-10-13(17)12(16)8-4-2-3-5-9(8)14(10)18-11/h2-6H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 800n/an/an/an/a



Westphalian Wilhelms University

Curated by ChEMBL


Assay Description
Inhibition of STAT3 phosphorylation at Y705 in human MDA-MB-231 cells assessed as reduction in ratio of phosphorylated STAT3 to total STAT3 level aft...


J Nat Prod 81: 1636-1644 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00247
BindingDB Entry DOI: 10.7270/Q2KW5JK0
More data for this
Ligand-Target Pair
Signal transducer and activator of transcription 3


(Homo sapiens (Human))
BDBM50366597
PNG
(2-Acetylfuranonaphthoquinone | BBI-608 | Napabucas...)
Show SMILES CC(=O)c1cc2c(o1)C(=O)c1ccccc1C2=O
Show InChI InChI=1S/C14H8O4/c1-7(15)11-6-10-12(16)8-4-2-3-5-9(8)13(17)14(10)18-11/h2-6H,1H3
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 1.90E+3n/an/an/an/a



Westphalian Wilhelms University

Curated by ChEMBL


Assay Description
Inhibition of STAT3 phosphorylation at Y705 in human MDA-MB-231 cells assessed as reduction in ratio of phosphorylated STAT3 to total STAT3 level aft...


J Nat Prod 81: 1636-1644 (2018)


Article DOI: 10.1021/acs.jnatprod.8b00247
BindingDB Entry DOI: 10.7270/Q2KW5JK0
More data for this
Ligand-Target Pair