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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 22' and Ligand = 'BDBM50393493'   
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))
BDBM50393493
PNG
(CHEMBL2159934)
Show SMILES COc1ccc2cc(C#N)c(SCC(=O)Nc3cccc(C)c3C)nc2c1
Show InChI InChI=1S/C21H19N3O2S/c1-13-5-4-6-18(14(13)2)23-20(25)12-27-21-16(11-22)9-15-7-8-17(26-3)10-19(15)24-21/h4-10H,12H2,1-3H3,(H,23,25)
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.05E+4n/an/an/an/an/an/a



University of Southern California

Curated by ChEMBL


Assay Description
Inhibition of LYP expressed in Escherichia coli BL21 using pNPP substrate


J Med Chem 54: 1640-54 (2011)


Article DOI: 10.1021/jm101202j
BindingDB Entry DOI: 10.7270/Q2RN38Z0
More data for this
Ligand-Target Pair