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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Tyrosine-Protein Phosphatase (CD45)' and Ligand = 'BDBM50118750'   
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 (CD45)


(Homo sapiens (Human))
BDBM50118750
PNG
(2-(Oxalyl-amino)-6-phenethyl-4,5,6,7-tetrahydro-th...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(CCc3ccccc3)CCc2c1C(O)=O
Show InChI InChI=1S/C18H18N2O5S/c21-15(18(24)25)19-16-14(17(22)23)12-7-9-20(10-13(12)26-16)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,21)(H,22,23)(H,24,25)
PDB
MMDB

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Similars

Article
PubMed
1.40E+6n/an/an/an/an/an/a7.0n/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory effect against human CD45 tyrosine phosphatase using p-nitrophenyl phosphate substrate at a pH 7.0


J Med Chem 45: 4443-59 (2002)


Article DOI: 10.1021/jm0209026
BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair