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BDBM50498446 CHEMBL3596431

SMILES: OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O

InChI Key: InChIKey=KYLBEQUYHODPLX-UHFFFAOYSA-N

Data: 8 IC50

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 8 hits for monomerid = 50498446   
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
Laforin


(Homo sapiens (Human))
BDBM50498446
PNG
(CHEMBL3596431)
Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)
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n/an/a 5.60E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human laforin using pNPP substrate by spectrophotometry


Medchemcomm 5: 1496-1499 (2014)


BindingDB Entry DOI: 10.7270/Q25D8VVW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein phosphatase epsilon (PTPε)


(Homo sapiens (Human))
BDBM50498446
PNG
(CHEMBL3596431)
Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)
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n/an/a>4.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTPepsilon using pNPP substrate by spectrophotometry


Medchemcomm 5: 1496-1499 (2014)


BindingDB Entry DOI: 10.7270/Q25D8VVW
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase MEG2 (PTP-Meg2)


(Homo sapiens (Human))
BDBM50498446
PNG
(CHEMBL3596431)
Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)
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n/an/a 6.90E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTP-Meg2 using pNPP substrate by spectrophotometry


Medchemcomm 5: 1496-1499 (2014)


BindingDB Entry DOI: 10.7270/Q25D8VVW
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 2C


(Homo sapiens (Human))
BDBM50498446
PNG
(CHEMBL3596431)
Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)
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n/an/a 5.00E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human SHP2 using pNPP substrate by spectrophotometry


Medchemcomm 5: 1496-1499 (2014)


BindingDB Entry DOI: 10.7270/Q25D8VVW
More data for this
Ligand-Target Pair
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50498446
PNG
(CHEMBL3596431)
Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human CD45 using pNPP substrate by spectrophotometry


Medchemcomm 5: 1496-1499 (2014)


BindingDB Entry DOI: 10.7270/Q25D8VVW
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1C


(Homo sapiens (Human))
BDBM50498446
PNG
(CHEMBL3596431)
Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)
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n/an/a 7.80E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human SHP1 using pNPP substrate by spectrophotometry


Medchemcomm 5: 1496-1499 (2014)


BindingDB Entry DOI: 10.7270/Q25D8VVW
More data for this
Ligand-Target Pair
Dual specificity protein phosphatase 3


(Homo sapiens (Human))
BDBM50498446
PNG
(CHEMBL3596431)
Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)
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n/an/a 4.30E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human VHR using pNPP substrate by spectrophotometry


Medchemcomm 5: 1496-1499 (2014)


BindingDB Entry DOI: 10.7270/Q25D8VVW
More data for this
Ligand-Target Pair
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50498446
PNG
(CHEMBL3596431)
Show SMILES OC(=O)c1cc2sc(Nc3cccc(Br)c3)nc2cc1O
Show InChI InChI=1S/C14H9BrN2O3S/c15-7-2-1-3-8(4-7)16-14-17-10-6-11(18)9(13(19)20)5-12(10)21-14/h1-6,18H,(H,16,17)(H,19,20)
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n/an/a 6.50E+4n/an/an/an/an/an/a



Indiana University School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of human PTP1B using pNPP substrate by spectrophotometry


Medchemcomm 5: 1496-1499 (2014)


BindingDB Entry DOI: 10.7270/Q25D8VVW
More data for this
Ligand-Target Pair