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Compile Data Set for Download or QSAR

Found 2 hits of ki for monomerid = 50118755   
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))
BDBM50118755
PNG
(2-(Oxalyl-amino)-6-pyridin-4-ylmethyl-4,5,6,7-tetr...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(Cc3ccncc3)CCc2c1C(O)=O
Show InChI InChI=1S/C16H15N3O5S/c20-13(16(23)24)18-14-12(15(21)22)10-3-6-19(8-11(10)25-14)7-9-1-4-17-5-2-9/h1-2,4-5H,3,6-8H2,(H,18,20)(H,21,22)(H,23,24)
PDB
MMDB

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PubMed
1.10E+3n/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))
BDBM50118755
PNG
(2-(Oxalyl-amino)-6-pyridin-4-ylmethyl-4,5,6,7-tetr...)
Show SMILES OC(=O)C(=O)Nc1sc2CN(Cc3ccncc3)CCc2c1C(O)=O
Show InChI InChI=1S/C16H15N3O5S/c20-13(16(23)24)18-14-12(15(21)22)10-3-6-19(8-11(10)25-14)7-9-1-4-17-5-2-9/h1-2,4-5H,3,6-8H2,(H,18,20)(H,21,22)(H,23,24)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents


Similars

PubMed
1.20E+4n/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