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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 = 'BDBM50035692'   
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))
BDBM50035692
PNG
(CHEMBL2377791)
Show SMILES CC(C)(C)c1ccc2C(=O)N(C(=O)c2c1)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H18N2O4S/c1-18(2,3)11-4-9-14-15(10-11)17(22)20(16(14)21)12-5-7-13(8-6-12)25(19,23)24/h4-10H,1-3H3,(H2,19,23,24)
PDB
MMDB

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Article
PubMed
2.70n/an/an/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 24: 5185-9 (2014)


Article DOI: 10.1016/j.bmcl.2014.09.076
BindingDB Entry DOI: 10.7270/Q25Q4XP2
More data for this
Ligand-Target Pair