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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50135670'   
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))
BDBM50135670
PNG
(3-(4-Naphthalen-1-ylmethyl-piperazin-1-ylmethyl)-p...)
Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4cccc5ccccc45)CC3)nnc2n1
Show InChI InChI=1S/C21H23N9/c22-19-18-20(26-21(23)25-19)28-27-17(24-18)13-30-10-8-29(9-11-30)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7H,8-13H2,(H4,22,23,25,26,28)
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MMDB

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KEGG

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PubMed
n/an/a 4.50E+3n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 300 nM DTT


Bioorg Med Chem Lett 13: 2895-8 (2003)


BindingDB Entry DOI: 10.7270/Q21V5DDS
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50135670
PNG
(3-(4-Naphthalen-1-ylmethyl-piperazin-1-ylmethyl)-p...)
Show SMILES Nc1nc(N)c2nc(CN3CCN(Cc4cccc5ccccc45)CC3)nnc2n1
Show InChI InChI=1S/C21H23N9/c22-19-18-20(26-21(23)25-19)28-27-17(24-18)13-30-10-8-29(9-11-30)12-15-6-3-5-14-4-1-2-7-16(14)15/h1-7H,8-13H2,(H4,22,23,25,26,28)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Roche Research Center

Curated by ChEMBL


Assay Description
Inhibition of Protein-tyrosine phosphatase 1B in 2 mM DTT


Bioorg Med Chem Lett 13: 2895-8 (2003)


BindingDB Entry DOI: 10.7270/Q21V5DDS
More data for this
Ligand-Target Pair