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BDBM50175713 3-oxo-3-(phenylsulfonamido)propylphosphonic acid::CHEMBL197860

SMILES: OP(O)(=O)CCC(=O)NS(=O)(=O)c1ccccc1

InChI Key: InChIKey=QRFARXVZKHWJGB-UHFFFAOYSA-N

Data: 2 KI

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 2 hits for monomerid = 50175713   
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
Fructose-bisphosphate aldolase class 2


(Escherichia coli (strain K12))
BDBM50175713
PNG
(3-oxo-3-(phenylsulfonamido)propylphosphonic acid |...)
Show SMILES OP(O)(=O)CCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H12NO6PS/c11-9(6-7-17(12,13)14)10-18(15,16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class II FBP aldolase from Escherichia coli


Bioorg Med Chem Lett 15: 5375-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.006
BindingDB Entry DOI: 10.7270/Q23B5ZPF
More data for this
Ligand-Target Pair
Fructose-bisphosphate aldolase A


(Oryctolagus cuniculus)
BDBM50175713
PNG
(3-oxo-3-(phenylsulfonamido)propylphosphonic acid |...)
Show SMILES OP(O)(=O)CCC(=O)NS(=O)(=O)c1ccccc1
Show InChI InChI=1S/C9H12NO6PS/c11-9(6-7-17(12,13)14)10-18(15,16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,10,11)(H2,12,13,14)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+7n/an/an/an/an/an/an/an/a



Université Paul Sabatier

Curated by ChEMBL


Assay Description
Inhibitory activity against class I FBP aldolase from rabbit


Bioorg Med Chem Lett 15: 5375-7 (2005)


Article DOI: 10.1016/j.bmcl.2005.09.006
BindingDB Entry DOI: 10.7270/Q23B5ZPF
More data for this
Ligand-Target Pair