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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 7972   
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 1


(Homo sapiens (Human))
BDBM50241345
PNG
(Apigenin 7-O-β-D-glucuronide (9) | CHEMBL2542...)
Show SMILES O[C@H]1[C@H](Oc2cc(O)c3c(c2)oc(cc3=O)-c2ccc(O)cc2)O[C@@H]([C@@H](O)[C@@H]1O)C(O)=O |r|
Show InChI InChI=1S/C21H18O11/c22-9-3-1-8(2-4-9)13-7-12(24)15-11(23)5-10(6-14(15)31-13)30-21-18(27)16(25)17(26)19(32-21)20(28)29/h1-7,16-19,21-23,25-27H,(H,28,29)/t16-,17-,18+,19-,21+/m0/s1
PDB
MMDB

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CHEMBL
MCE
KEGG
PC cid
PC sid
UniChem

Similars

2.60E+3n/an/an/an/an/an/an/an/a



Catholic University of Daegu



Assay Description
The reaction mixtures contained in various different concentrations of p-NPP as a PTP1B substrate in the presence or absence of the active compound. ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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KEGG

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PC cid
PC sid
PDB
UniChem

Patents


Similars

2.80E+3n/an/an/an/an/an/an/an/a



Catholic University of Daegu



Assay Description
The reaction mixtures contained in various different concentrations of p-NPP as a PTP1B substrate in the presence or absence of the active compound. ...


Bioorg Chem 72: 293-300 (2017)


BindingDB Entry DOI: 10.7270/Q2Q52NH6
More data for this
Ligand-Target Pair