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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase YopH' and Ligand = 'BDBM50363150'   
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
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50363150
PNG
(CHEMBL1946986)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=C\C(=O)c2ccc3OCOc3c2)o1
Show InChI InChI=1S/C21H12ClF3O4/c22-16-5-2-13(21(23,24)25)10-15(16)18-8-4-14(29-18)3-6-17(26)12-1-7-19-20(9-12)28-11-27-19/h1-10H,11H2/b6-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.11E+4n/an/an/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Competitive inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by Line-weaver Burk plot analysis


Eur J Med Chem 64: 35-41 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.018
BindingDB Entry DOI: 10.7270/Q2R212R6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase YopH


(Yersinia enterocolitica)
BDBM50363150
PNG
(CHEMBL1946986)
Show SMILES FC(F)(F)c1ccc(Cl)c(c1)-c1ccc(\C=C\C(=O)c2ccc3OCOc3c2)o1
Show InChI InChI=1S/C21H12ClF3O4/c22-16-5-2-13(21(23,24)25)10-15(16)18-8-4-14(29-18)3-6-17(26)12-1-7-19-20(9-12)28-11-27-19/h1-10H,11H2/b6-3+
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.86E+4n/an/an/an/an/an/a



Universidade Federal de Santa Catarina

Curated by ChEMBL


Assay Description
Inhibition of Yersinia enterocolitica recombinant YopH using pNPP as substrate after 10 mins by spectrophotometry


Eur J Med Chem 64: 35-41 (2013)


Article DOI: 10.1016/j.ejmech.2013.04.018
BindingDB Entry DOI: 10.7270/Q2R212R6
More data for this
Ligand-Target Pair