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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50045192   
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))
BDBM22851
PNG
(1,2-Dione-Based Compound, 8 | 1,2-dihydronaphthale...)
Show SMILES O=C1C=Cc2ccccc2C1=O |c:2|
Show InChI InChI=1S/C10H6O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6H
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KEGG
PC cid
PC sid
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Article
PubMed
n/an/a 1.10E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LYP (unknown origin) using DiFMUP substrate incubated for 2 hrs


Bioorg Med Chem Lett 24: 4019-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q52R89
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50049067
PNG
(CHEBI:17435 | CHEMBL204543 | Naphthalene-1,2-Diol)
Show SMILES Oc1ccc2ccccc2c1O
Show InChI InChI=1S/C10H8O2/c11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-6,11-12H
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antibodypedia
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DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem

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Article
PubMed
n/an/a 2.52E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LYP (unknown origin) using DiFMUP substrate incubated for 2 hrs


Bioorg Med Chem Lett 24: 4019-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q52R89
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 22


(Homo sapiens (Human))
BDBM50049066
PNG
(2-Hydroxynaphthoquinone | CHEBI:44401 | Lawsone | ...)
Show SMILES OC1=CC(=O)c2ccccc2C1=O |t:1|
Show InChI InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
KEGG
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/a 5.60E+3n/an/an/an/an/an/a



University of Utah

Curated by ChEMBL


Assay Description
Inhibition of LYP (unknown origin) using DiFMUP substrate incubated for 2 hrs


Bioorg Med Chem Lett 24: 4019-22 (2014)


Article DOI: 10.1016/j.bmcl.2014.06.016
BindingDB Entry DOI: 10.7270/Q2Q52R89
More data for this
Ligand-Target Pair