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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 12' and Ligand = 'BDBM50387159'   
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))
BDBM50387159
PNG
(4-ureidophenyl sulfamate ring derivative 3ax | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H19N3O4S/c20-27(24,25)26-17-10-8-16(9-11-17)22-19(23)21-13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H2,20,24,25)(H2,21,22,23)
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PC cid
PC sid
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Article
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3.20n/an/an/an/an/an/an/an/a



Romanian Academy

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12


Bioorg Med Chem 21: 1404-9 (2013)


Article DOI: 10.1016/j.bmc.2012.11.004
BindingDB Entry DOI: 10.7270/Q2XW4M4Q
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50387159
PNG
(4-ureidophenyl sulfamate ring derivative 3ax | CHE...)
Show SMILES NS(=O)(=O)Oc1ccc(NC(=O)NCCc2cccc3ccccc23)cc1
Show InChI InChI=1S/C19H19N3O4S/c20-27(24,25)26-17-10-8-16(9-11-17)22-19(23)21-13-12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11H,12-13H2,(H2,20,24,25)(H2,21,22,23)
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PC cid
PC sid
UniChem
Article
PubMed
25n/an/an/an/an/an/an/an/a



Ecole Nationale Sup£rieure de Chimie de Montpellier

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 15 mins measured for 10 to 100 sec using phenol red indicator-based stopped flow assay


Bioorg Med Chem Lett 22: 4681-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.083
BindingDB Entry DOI: 10.7270/Q20866C2
More data for this
Ligand-Target Pair