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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

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   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 cid
PC sid
UniChem

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


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