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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50135621'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50135621
PNG
(4-(5-Sulfamoyl-[1,3,4]thiadiazol-2-ylsulfamoyl)-be...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)C(O)=O)s1
Show InChI InChI=1S/C9H8N4O6S3/c10-21(16,17)9-12-11-8(20-9)13-22(18,19)6-3-1-5(2-4-6)7(14)15/h1-4H,(H,11,13)(H,14,15)(H2,10,16,17)
PDB
MMDB

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Similars

PubMed
4.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 13: 2867-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BR8SQ8
More data for this
Ligand-Target Pair
3D
3D Structure (docked)