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BDBM50031454 (2-{2-[2-(4-Sulfamoyl-benzoylamino)-ethoxy]-ethoxy}-ethylcarbamoyl)-methyl-ammonium

SMILES: NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)C[NH3+]

InChI Key: InChIKey=OIKKGRHOXPAPMW-UHFFFAOYSA-O

Data: 1 Kd

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 1 hit for monomerid = 50031454   
Target
(Institution)
LigandTarget
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))
BDBM50031454
PNG
((2-{2-[2-(4-Sulfamoyl-benzoylamino)-ethoxy]-ethoxy...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)NCCOCCOCCNC(=O)C[NH3+]
Show InChI InChI=1S/C15H24N4O6S/c16-11-14(20)18-5-7-24-9-10-25-8-6-19-15(21)12-1-3-13(4-2-12)26(17,22)23/h1-4H,5-11,16H2,(H,18,20)(H,19,21)(H2,17,22,23)/p+1
PDB
MMDB

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PC sid
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Similars

AffyNet 
Article
PubMed
n/an/an/a 43n/an/an/an/an/a



University of Pennsylvania

Curated by ChEMBL


Assay Description
Compound was tested for the binding affinity towards Carbonic anhydrase II by competitive fluorescence assay with dansylamide


J Med Chem 38: 2286-91 (1995)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)