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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 = 'BDBM50454317'   
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))
BDBM50454317
PNG
(CHEMBL4203265)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=[#6])-[#6](-[#8])-[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)22(30)14-21-25(31)19(11-9-16(3)4)26(32)24-27(33)20-13-18(29)10-12-23(20)34-28(21)24/h7,9-10,12-13,22,29-32H,5-6,8,11,14H2,1-4H3
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
8.90E+3n/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))
BDBM50454317
PNG
(CHEMBL4203265)
Show SMILES [#6]\[#6](-[#6])=[#6]\[#6]-[#6]-[#6](=[#6])-[#6](-[#8])-[#6]-c1c(-[#8])c(-[#6]\[#6]=[#6](\[#6])-[#6])c(-[#8])c2c1oc1ccc(-[#8])cc1c2=O
Show InChI InChI=1S/C28H32O6/c1-15(2)7-6-8-17(5)22(30)14-21-25(31)19(11-9-16(3)4)26(32)24-27(33)20-13-18(29)10-12-23(20)34-28(21)24/h7,9-10,12-13,22,29-32H,5-6,8,11,14H2,1-4H3
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 1.25E+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