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BDBM50275340 4,6-Dinitro salicylic acid::CHEMBL447810

SMILES: OC(=O)c1c(O)cc(cc1[N+]([O-])=O)[N+]([O-])=O

InChI Key: InChIKey=AQBLBIVMAAUENI-UHFFFAOYSA-N

Data: 2 KI  2 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 4 hits for monomerid = 50275340   
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))
BDBM50275340
PNG
(4,6-Dinitro salicylic acid | CHEMBL447810)
Show SMILES OC(=O)c1c(O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C7H4N2O7/c10-5-2-3(8(13)14)1-4(9(15)16)6(5)7(11)12/h1-2,10H,(H,11,12)
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Article
PubMed
5.45E+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 non-competitive 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))
BDBM50275340
PNG
(4,6-Dinitro salicylic acid | CHEMBL447810)
Show SMILES OC(=O)c1c(O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C7H4N2O7/c10-5-2-3(8(13)14)1-4(9(15)16)6(5)7(11)12/h1-2,10H,(H,11,12)
PDB
MMDB

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Article
PubMed
1.49E+4n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by noncompetitive 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))
BDBM50275340
PNG
(4,6-Dinitro salicylic acid | CHEMBL447810)
Show SMILES OC(=O)c1c(O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C7H4N2O7/c10-5-2-3(8(13)14)1-4(9(15)16)6(5)7(11)12/h1-2,10H,(H,11,12)
PDB
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Article
PubMed
n/an/a 7.64E+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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50275340
PNG
(4,6-Dinitro salicylic acid | CHEMBL447810)
Show SMILES OC(=O)c1c(O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C7H4N2O7/c10-5-2-3(8(13)14)1-4(9(15)16)6(5)7(11)12/h1-2,10H,(H,11,12)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
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antibodypedia
GoogleScholar
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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/a 2.80E+3n/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