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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM50425816'   
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 non-receptor type 22


(Homo sapiens (Human))
BDBM50425816
PNG
(CHEMBL2316910)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(F)cc3F)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H12F2O4/c24-15-8-6-13(19(25)10-15)7-9-16-17-11-18(23(27)28)20(26)12-21(17)29-22(16)14-4-2-1-3-5-14/h1-6,8,10-12,26H,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of N-terminal 6xHis-tagged LYP catalytic domain (1 to 303) (unknown origin) expressed in Escherichia coli BL21(DE3) using pNPP as substrat...


J Med Chem 56: 4990-5008 (2013)


Article DOI: 10.1021/jm400248c
BindingDB Entry DOI: 10.7270/Q2N017XW
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50425816
PNG
(CHEMBL2316910)
Show SMILES OC(=O)c1cc2c(C#Cc3ccc(F)cc3F)c(oc2cc1O)-c1ccccc1
Show InChI InChI=1S/C23H12F2O4/c24-15-8-6-13(19(25)10-15)7-9-16-17-11-18(23(27)28)20(26)12-21(17)29-22(16)14-4-2-1-3-5-14/h1-6,8,10-12,26H,(H,27,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.50E+3n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of LYP (unknown origin) expressed in Escherichia coli using pNPP substrate after 5 mins by spectrophotometric analysis


J Med Chem 56: 832-42 (2013)


Article DOI: 10.1021/jm301781p
BindingDB Entry DOI: 10.7270/Q2KK9D4X
More data for this
Ligand-Target Pair