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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 = 'BDBM50436359'   
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))		BDBM50436359
PNG
(CHEMBL2396724)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NCCc2ccc(Cl)cc2Cl)cc1
Show InChI InChI=1S/C33H22Cl3NO6/c34-22-3-1-2-19(14-22)4-11-25-26-16-27(33(40)41)29(38)17-30(26)43-32(25)21-6-9-24(10-7-21)42-18-31(39)37-13-12-20-5-8-23(35)15-28(20)36/h1-3,5-10,14-17,38H,12-13,18H2,(H,37,39)(H,40,41)
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Article
PubMed
n/an/a 670n/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