BindingDB logo
myBDB logout
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 = 'BDBM50454322'   
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))
BDBM50454322
PNG
(CHEMBL4218731)
Show SMILES COc1c(O)ccc2c1oc1c3c(OC(CO)C3(C)C)cc(O)c1c2=O
Show InChI InChI=1S/C19H18O7/c1-19(2)12(7-20)25-11-6-10(22)13-15(23)8-4-5-9(21)17(24-3)16(8)26-18(13)14(11)19/h4-6,12,20-22H,7H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
3.27E+4n/an/an/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by Dixon plot analysis


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50454322
PNG
(CHEMBL4218731)
Show SMILES COc1c(O)ccc2c1oc1c3c(OC(CO)C3(C)C)cc(O)c1c2=O
Show InChI InChI=1S/C19H18O7/c1-19(2)12(7-20)25-11-6-10(22)13-15(23)8-4-5-9(21)17(24-3)16(8)26-18(13)14(11)19/h4-6,12,20-22H,7H2,1-3H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.25E+4n/an/an/an/an/an/a



Gyeongsang National University

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PTP1B (1 to 322 residues) expressed in Escherichia coli using P-NPP as substrate after 10 mins by spectrophotometry


Bioorg Med Chem 26: 737-746 (2018)


Article DOI: 10.1016/j.bmc.2017.12.043
BindingDB Entry DOI: 10.7270/Q2CJ8H34
More data for this
Ligand-Target Pair