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SMILES: Cc1cc(C)c2cc(C(N3CCCC4(CCCCC4)C3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1

InChI Key: InChIKey=AKYJDASJCBYEJC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50393480   
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))		BDBM50393480
PNG
(CHEMBL2159955)
Show SMILES Cc1cc(C)c2cc(C(N3CCCC4(CCCCC4)C3)c3nnnn3C3CCCC3)c(=O)[nH]c2c1
Show InChI InChI=1S/C28H38N6O/c1-19-15-20(2)22-17-23(27(35)29-24(22)16-19)25(26-30-31-32-34(26)21-9-4-5-10-21)33-14-8-13-28(18-33)11-6-3-7-12-28/h15-17,21,25H,3-14,18H2,1-2H3,(H,29,35)
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Article
PubMed
n/an/a 1.11E+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