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SMILES: OC(=O)C(=O)Nc1sc2CC(CCc2c1C(O)=O)C1OCCO1

InChI Key: InChIKey=WWNAPOMUXWPEFB-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50118741   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/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))
BDBM50118741
PNG
(6-[1,3]Dioxolan-2-yl-2-(oxalyl-amino)-4,5,6,7-tetr...)
Show SMILES OC(=O)C(=O)Nc1sc2CC(CCc2c1C(O)=O)C1OCCO1
Show InChI InChI=1S/C14H15NO7S/c16-10(13(19)20)15-11-9(12(17)18)7-2-1-6(5-8(7)23-11)14-21-3-4-22-14/h6,14H,1-5H2,(H,15,16)(H,17,18)(H,19,20)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

PubMed
2.20E+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
Receptor-type tyrosine-protein phosphatase alpha


(Homo sapiens (Human))
BDBM50118741
PNG
(6-[1,3]Dioxolan-2-yl-2-(oxalyl-amino)-4,5,6,7-tetr...)
Show SMILES OC(=O)C(=O)Nc1sc2CC(CCc2c1C(O)=O)C1OCCO1
Show InChI InChI=1S/C14H15NO7S/c16-10(13(19)20)15-11-9(12(17)18)7-2-1-6(5-8(7)23-11)14-21-3-4-22-14/h6,14H,1-5H2,(H,15,16)(H,17,18)(H,19,20)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
1.50E+5n/an/an/an/an/an/a5.5n/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory effect against human protein-tyrosine phosphatase alpha (PTPalpha), 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