BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein phosphatase non-receptor type 1' and Ligand = 'BDBM50118750'   
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))
BDBM50118750
PNG
(2-(Oxalyl-amino)-6-phenethyl-4,5,6,7-tetrahydro-th...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(CCc3ccccc3)CCc2c1C(O)=O
Show InChI InChI=1S/C18H18N2O5S/c21-15(18(24)25)19-16-14(17(22)23)12-7-9-20(10-13(12)26-16)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,21)(H,22,23)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
270n/an/an/an/an/an/a5.5n/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory effect against recombinant human protein-tyrosine phosphatase 1B (PTP1B), using p-nitrophenyl phosphate substrate at pH 5.5.


J Med Chem 45: 4443-59 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50118750
PNG
(2-(Oxalyl-amino)-6-phenethyl-4,5,6,7-tetrahydro-th...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(CCc3ccccc3)CCc2c1C(O)=O
Show InChI InChI=1S/C18H18N2O5S/c21-15(18(24)25)19-16-14(17(22)23)12-7-9-20(10-13(12)26-16)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,21)(H,22,23)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

Article
PubMed
270n/an/an/an/an/an/a5.5n/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PTP1B (1 to 321 residues) catalytic domain expressed in Escherichia coli BL21 (DE3) cells using p-nitrophenyl phospha...


Bioorg Med Chem 24: 3343-52 (2016)


Article DOI: 10.1016/j.bmc.2016.06.035
BindingDB Entry DOI: 10.7270/Q20Z756P
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50118750
PNG
(2-(Oxalyl-amino)-6-phenethyl-4,5,6,7-tetrahydro-th...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(CCc3ccccc3)CCc2c1C(O)=O
Show InChI InChI=1S/C18H18N2O5S/c21-15(18(24)25)19-16-14(17(22)23)12-7-9-20(10-13(12)26-16)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,21)(H,22,23)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

270n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50118750
PNG
(2-(Oxalyl-amino)-6-phenethyl-4,5,6,7-tetrahydro-th...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(CCc3ccccc3)CCc2c1C(O)=O
Show InChI InChI=1S/C18H18N2O5S/c21-15(18(24)25)19-16-14(17(22)23)12-7-9-20(10-13(12)26-16)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,21)(H,22,23)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
3.20E+3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Protein-tyrosine phosphatase 1B.


J Med Chem 45: 4443-59 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50118750
PNG
(2-(Oxalyl-amino)-6-phenethyl-4,5,6,7-tetrahydro-th...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(CCc3ccccc3)CCc2c1C(O)=O
Show InChI InChI=1S/C18H18N2O5S/c21-15(18(24)25)19-16-14(17(22)23)12-7-9-20(10-13(12)26-16)8-6-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,19,21)(H,22,23)(H,24,25)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
3.20E+3n/an/an/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Protein-tyrosine phosphatase 1B.


J Med Chem 45: 4443-59 (2002)


BindingDB Entry DOI: 10.7270/Q2QJ7GM5
More data for this
Ligand-Target Pair