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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 = 'BDBM50344556'   
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))
BDBM50344556
PNG
(4-(nitrooxy)butyl 4-(N-(5-sulfamoyl-1,3,4-thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(cc2)C(=O)OCCCCO[N+]([O-])=O)s1
Show InChI InChI=1S/C13H15N5O9S3/c14-29(22,23)13-16-15-12(28-13)17-30(24,25)10-5-3-9(4-6-10)11(19)26-7-1-2-8-27-18(20)21/h3-6H,1-2,7-8H2,(H,15,17)(H2,14,22,23)
PDB
MMDB

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31n/an/an/an/an/an/an/an/a



U.O. Oculistica Az. USL 3

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 21: 3216-21 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.046
BindingDB Entry DOI: 10.7270/Q2GT5NHQ
More data for this
Ligand-Target Pair