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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 = 'BDBM50425817'   
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))
BDBM50425817
PNG
(CHEMBL2316909)
Show SMILES COc1cccc(c1)C#Cc1c(oc2cc(O)c(cc12)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C24H16O5/c1-28-17-9-5-6-15(12-17)10-11-18-19-13-20(24(26)27)21(25)14-22(19)29-23(18)16-7-3-2-4-8-16/h2-9,12-14,25H,1H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/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))
BDBM50425817
PNG
(CHEMBL2316909)
Show SMILES COc1cccc(c1)C#Cc1c(oc2cc(O)c(cc12)C(O)=O)-c1ccccc1
Show InChI InChI=1S/C24H16O5/c1-28-17-9-5-6-15(12-17)10-11-18-19-13-20(24(26)27)21(25)14-22(19)29-23(18)16-7-3-2-4-8-16/h2-9,12-14,25H,1H3,(H,26,27)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.70E+4n/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