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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50361280'   
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))
BDBM50361280
PNG
(CHEMBL1935617)
Show SMILES CCOC\C=C\C(=O)N1Cc2cc(OCCc3nc(\C=C\CCC(C)C)oc3C)ccc2C[C@H]1C(O)=O |r|
Show InChI InChI=1S/C29H38N2O6/c1-5-35-15-8-11-28(32)31-19-23-17-24(13-12-22(23)18-26(31)29(33)34)36-16-14-25-21(4)37-27(30-25)10-7-6-9-20(2)3/h7-8,10-13,17,20,26H,5-6,9,14-16,18-19H2,1-4H3,(H,33,34)/b10-7+,11-8+/t26-/m0/s1
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MMDB

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Similars

Article
PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Kyoto Pharmaceutical Industries

Curated by ChEMBL


Assay Description
Inhibition of PTB1B using pNPP as substrate after 30 mins


Bioorg Med Chem 20: 1060-75 (2012)


Article DOI: 10.1016/j.bmc.2011.11.035
BindingDB Entry DOI: 10.7270/Q2BC3ZZS
More data for this
Ligand-Target Pair