BindingDB logo
myBDB logout

null

SMILES: Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O

InChI Key: InChIKey=JKYKXTRKURYNGW-UHFFFAOYSA-M

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 3 hits for monomerid = 50143419   
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))
BDBM50143419
PNG
(CHEMBL175336 | Sodium; 3,4-dihydroxy-9,10-dioxo-9,...)
Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O
Show InChI InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)/p-1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.00E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of human PTPase 1B


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair
Phosphoglycerate mutase 1


(Homo sapiens (Human))
BDBM50143419
PNG
(CHEMBL175336 | Sodium; 3,4-dihydroxy-9,10-dioxo-9,...)
Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O
Show InChI InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)/p-1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

n/an/a 2.30E+3n/an/an/an/an/an/a


TBA



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


(Saccharomyces cerevisiae)
BDBM50143419
PNG
(CHEMBL175336 | Sodium; 3,4-dihydroxy-9,10-dioxo-9,...)
Show SMILES Oc1c(O)c2C(=O)c3ccccc3C(=O)c2cc1S([O-])(=O)=O
Show InChI InChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)/p-1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.80E+4n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibitory activity against Saccharomyces cerevisiae Tyrosine phosphatase 1


Bioorg Med Chem Lett 14: 1923-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.079
BindingDB Entry DOI: 10.7270/Q2JS9R01
More data for this
Ligand-Target Pair