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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 = 'BDBM50557989'   
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))
BDBM50557989
PNG
(CHEMBL4779255)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1(CC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
2.20E+3n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli using DifMup as substrate preincubated ...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50557989
PNG
(CHEMBL4779255)
Show SMILES CCCCC(NC1=NS(=O)(=O)c2ccccc12)C(=O)NC[C@@H](NC(=O)C1(CC1)NC(=O)[C@H](CC(C)(C)C)n1cc(CC2CCCCC2)nn1)C(N)=O |r,t:6|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 210n/an/an/an/an/a


TBA

Assay Description
Binding affinity to N-terminal GST-tagged recombinant human PTP1B (1 to 321 residues) expressed in Escherichia coli assessed as dissociation constant...


Citation and Details

Article DOI: 10.1016/j.bmcl.2015.11.102
BindingDB Entry DOI: 10.7270/Q2KK9GHP
More data for this
Ligand-Target Pair