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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50190249'   
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 12


(Homo sapiens (Human))
BDBM50190249
PNG
(2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-...)
Show SMILES COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O
Show InChI InChI=1S/C11H14ClNO6S2/c1-6-4-10(21(13,17)18)9(5-8(6)12)20(15,16)7(2)11(14)19-3/h4-5,7H,1-3H3,(H2,13,17,18)
PDB
MMDB

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PC cid
PC sid
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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA12 catalytic domain 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