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BDBM96194 5-[(2-carboxyphenyl)sulfamoyl]-2-hydroxy-benzoic acid::5-[(2-carboxyphenyl)sulfamoyl]-2-hydroxybenzoic acid::5-[(2-carboxyphenyl)sulfamoyl]-2-oxidanyl-benzoic acid::MLS000104597::SMR000054530::cid_789790

SMILES: OC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c(c1)C(O)=O

InChI Key: InChIKey=DXBBXOCJMOGJNI-UHFFFAOYSA-N

Data: 1 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 3 hits for monomerid = 96194   
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
P-protein


(Escherichia coli (strain K12))
BDBM96194
PNG
(5-[(2-carboxyphenyl)sulfamoyl]-2-hydroxy-benzoic a...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C14H11NO7S/c16-12-6-5-8(7-10(12)14(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,(H,17,18)(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Competitive inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate


Bioorg Med Chem 22: 5961-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.010
BindingDB Entry DOI: 10.7270/Q2PC340D
More data for this
Ligand-Target Pair
Fructose-1,6-bisphosphate aldolase (FBA)


(Mycobacterium tuberculosis (strain H37Rv))
BDBM96194
PNG
(5-[(2-carboxyphenyl)sulfamoyl]-2-hydroxy-benzoic a...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C14H11NO7S/c16-12-6-5-8(7-10(12)14(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,(H,17,18)(H,19,20)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
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PC cid
PC sid
UniChem

Similars

PCBioAssay
n/an/a>9.99E+3n/an/an/an/an/an/a



The Scripps Research Institute Molecular Screening Center

Curated by PubChem BioAssay




PubChem Bioassay (2013)


BindingDB Entry DOI: 10.7270/Q25719N6
More data for this
Ligand-Target Pair
P-protein


(Escherichia coli (strain K12))
BDBM96194
PNG
(5-[(2-carboxyphenyl)sulfamoyl]-2-hydroxy-benzoic a...)
Show SMILES OC(=O)c1ccccc1NS(=O)(=O)c1ccc(O)c(c1)C(O)=O
Show InChI InChI=1S/C14H11NO7S/c16-12-6-5-8(7-10(12)14(19)20)23(21,22)15-11-4-2-1-3-9(11)13(17)18/h1-7,15-16H,(H,17,18)(H,19,20)
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.00E+4n/an/an/an/an/an/a



University of Kansas

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli K-12 EcCM expressed in Escherichia coli BL21 Star (DE3) pLysS using chorismate as substrate assessed as disappearance ...


Bioorg Med Chem 22: 5961-9 (2014)


Article DOI: 10.1016/j.bmc.2014.09.010
BindingDB Entry DOI: 10.7270/Q2PC340D
More data for this
Ligand-Target Pair