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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 = 'BDBM50557982'   
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))
BDBM50557982
PNG
(CHEMBL4762824)
Show SMILES NC(=O)C(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)NC(=O)C(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc12)NC(=O)Cc1ccc(CNC(=O)[C@H](C2CC2)n2cc(CC3CCCCC3)nn2)cc1 |r,t:40|
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
6.80E+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))
BDBM50557982
PNG
(CHEMBL4762824)
Show SMILES NC(=O)C(CCCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12)NC(=O)C(CNC(=O)CCCCCNC1=NS(=O)(=O)c2ccccc12)NC(=O)Cc1ccc(CNC(=O)[C@H](C2CC2)n2cc(CC3CCCCC3)nn2)cc1 |r,t:40|
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 110n/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