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BDBM50219484 5-fluorosalicylic acid::CHEMBL229239

SMILES: OC(=O)c1cc(F)ccc1O

InChI Key: InChIKey=JWPRICQKUNODPZ-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50219484   
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
Protein-tyrosine phosphatase 1B


(Homo sapiens (Human))
BDBM50219484
PNG
(5-fluorosalicylic acid | CHEMBL229239)
Show SMILES OC(=O)c1cc(F)ccc1O
Show InChI InChI=1S/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
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antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Inha University

Curated by ChEMBL


Assay Description
Inhibition of PTP1B


Bioorg Med Chem 15: 6535-48 (2007)


Article DOI: 10.1016/j.bmc.2007.07.010
BindingDB Entry DOI: 10.7270/Q2GM871J
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (Human))
BDBM50219484
PNG
(5-fluorosalicylic acid | CHEMBL229239)
Show SMILES OC(=O)c1cc(F)ccc1O
Show InChI InChI=1S/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
PDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a>1.00E+7n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DDO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...


J Med Chem 58: 7328-40 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1G6R
More data for this
Ligand-Target Pair
D-amino-acid oxidase


(Homo sapiens (Human))
BDBM50219484
PNG
(5-fluorosalicylic acid | CHEMBL229239)
Show SMILES OC(=O)c1cc(F)ccc1O
Show InChI InChI=1S/C7H5FO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
MCE
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.05E+6n/an/an/an/an/an/a



Kitasato University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant DAO expressed in Escherichia coli BL21(DE3) using D-Asp and D-Ala assessed as 2-oxo acid production after 10 mins by ...


J Med Chem 58: 7328-40 (2015)


BindingDB Entry DOI: 10.7270/Q2WM1G6R
More data for this
Ligand-Target Pair