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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 = 'BDBM50190256'   
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))
BDBM50190256
PNG
(6-(isobutylthio)-3,4-dihydro-2H-1,2,4-benzothiadia...)
Show SMILES CC(C)CSc1cc2NCNS(=O)(=O)c2cc1S(N)(=O)=O
Show InChI InChI=1S/C11H17N3O4S3/c1-7(2)5-19-9-3-8-10(4-11(9)20(12,15)16)21(17,18)14-6-13-8/h3-4,7,13-14H,5-6H2,1-2H3,(H2,12,15,16)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
2.68E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair