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SMILES: COC(C(O)C(C)(C)O)c1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)cc1)c2=O

InChI Key: InChIKey=LZZOZGIVJWVVNH-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50394209   
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 1


(Homo sapiens (Human))		BDBM50394209
PNG
(CHEMBL2159050)
Show SMILES COC(C(O)C(C)(C)O)c1c2OC(C)(C)C=Cc2c(O)c2c1occ(-c1ccc(O)cc1)c2=O |c:15|
Show InChI InChI=1S/C26H28O8/c1-25(2)11-10-15-19(28)17-20(29)16(13-6-8-14(27)9-7-13)12-33-22(17)18(21(15)34-25)23(32-5)24(30)26(3,4)31/h6-12,23-24,27-28,30-31H,1-5H3
PDB
MMDB

NCI pathway
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KEGG

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PC cid
PC sid
UniChem
Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Chosun University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B using p-nitrophenyl phosphate as substrate after 30 mins

Bioorg Med Chem 20: 6459-64 (2012)


Article DOI: 10.1016/j.bmc.2012.08.024
BindingDB Entry DOI: 10.7270/Q29C6ZHS
More data for this
Ligand-Target Pair