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SMILES: OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1

InChI Key: InChIKey=YEQMIPZSWSONIT-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436362   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50436362
PNG
(CHEMBL2396721)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 |THB:36:35:32:38.37.39,36:37:34.35.40:32,39:37:34:40.31.32,39:31:34:38.36.37|
Show InChI InChI=1S/C35H30ClNO6/c36-25-3-1-2-20(13-25)4-9-27-28-14-29(34(40)41)30(38)15-31(28)43-33(27)24-5-7-26(8-6-24)42-19-32(39)37-35-16-21-10-22(17-35)12-23(11-21)18-35/h1-3,5-8,13-15,21-23,38H,10-12,16-19H2,(H,37,39)(H,40,41)
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Article
PubMed
n/an/a 310n/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