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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 22' and Ligand = 'BDBM50031911'   
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))
BDBM50031911
PNG
(CHEMBL1299903)
Show SMILES CCCCOc1cccc(c1)C1N(Cc2ccco2)C(=O)C(O)=C1C(=O)c1ccc(C)o1
Show InChI InChI=1S/C25H25NO6/c1-3-4-12-30-18-8-5-7-17(14-18)22-21(23(27)20-11-10-16(2)32-20)24(28)25(29)26(22)15-19-9-6-13-31-19/h5-11,13-14,22,28H,3-4,12,15H2,1-2H3
PDB

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.10E+4n/an/an/an/an/an/an/an/a



Shandong University

Curated by ChEMBL


Assay Description
Covalent irreversible inhibition of N-terminal His-tagged Lyp (unknown origin) catalytic domain (1 to 294 residues) expressed in Escherichia coli BL2...


J Med Chem 57: 9309-22 (2014)


Article DOI: 10.1021/jm500692u
BindingDB Entry DOI: 10.7270/Q2ZG6TVJ
More data for this
Ligand-Target Pair