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BDBM50240969 5-Chloro-2-hydroxy-benzoic acid::5-Chlorosalicylic Acid::CHEMBL1375

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

InChI Key: InChIKey=NKBASRXWGAGQDP-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50240969   
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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240969
PNG
(5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...)
Show SMILES OC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
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PubMed
1.27E+3n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by uncompetitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240969
PNG
(5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...)
Show SMILES OC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
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PubMed
4.16E+3n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by uncompetitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240969
PNG
(5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...)
Show SMILES OC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
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PubMed
n/an/a 720n/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by spectrophotometry


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
D-Aspartate Oxidase (DDO)


(Homo sapiens (Human))
BDBM50240969
PNG
(5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...)
Show SMILES OC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
KEGG

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PC sid
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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))
BDBM50240969
PNG
(5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...)
Show SMILES OC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
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PubMed
n/an/a 3.67E+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
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240969
PNG
(5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...)
Show SMILES OC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 4.07E+3n/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by spectrophotometry


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair