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SMILES: Oc1cc(c2ccccc2c1N=Nc1c(O)c(cc2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O

InChI Key: InChIKey=CUZBFLNQSMIQBG-UHFFFAOYSA-J

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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50143418   
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 1


(Saccharomyces cerevisiae)
BDBM50143418
PNG
(7-Hydroxy-8-(2-hydroxy-4-sulfo-naphthalen-1-ylazo)...)
Show SMILES Oc1cc(c2ccccc2c1N=Nc1c(O)c(cc2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O |w:11.12|
Show InChI InChI=1S/C20H14N2O14S4/c23-13-8-14(38(28,29)30)11-3-1-2-4-12(11)18(13)21-22-19-17-9(6-16(20(19)24)40(34,35)36)5-10(37(25,26)27)7-15(17)39(31,32)33/h1-8,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/p-4
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.10E+5n/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
Tyrosine-protein phosphatase non-receptor type 1


(Homo sapiens (Human))
BDBM50143418
PNG
(7-Hydroxy-8-(2-hydroxy-4-sulfo-naphthalen-1-ylazo)...)
Show SMILES Oc1cc(c2ccccc2c1N=Nc1c(O)c(cc2cc(cc(c12)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O)S([O-])(=O)=O |w:11.12|
Show InChI InChI=1S/C20H14N2O14S4/c23-13-8-14(38(28,29)30)11-3-1-2-4-12(11)18(13)21-22-19-17-9(6-16(20(19)24)40(34,35)36)5-10(37(25,26)27)7-15(17)39(31,32)33/h1-8,23-24H,(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/p-4
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 4.60E+5n/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