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SMILES: OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)Nc2ccccc2)cc1

InChI Key: InChIKey=DFRAQEPTUYBOPU-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50436363   
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))		BDBM50436363
PNG
(CHEMBL2396720)
Show SMILES OC(=O)c1cc2c(C#Cc3cccc(Cl)c3)c(oc2cc1O)-c1ccc(OCC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C31H20ClNO6/c32-21-6-4-5-19(15-21)9-14-24-25-16-26(31(36)37)27(34)17-28(25)39-30(24)20-10-12-23(13-11-20)38-18-29(35)33-22-7-2-1-3-8-22/h1-8,10-13,15-17,34H,18H2,(H,33,35)(H,36,37)
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Similars
Article
PubMed
n/an/a 263n/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