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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 = 'BDBM50118209'   
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))
BDBM50118209
PNG
(CHEMBL3613287)
Show SMILES NS(=O)(=O)[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1/C6H14NO10PS/c7-19(14,15)6-5(10)4(9)3(8)2(17-6)1-16-18(11,12)13/h2-6,8-10H,1H2,(H2,7,14,15)(H2,11,12,13)/t2-,3-,4+,5-,6+/s2
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MMDB

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90n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


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


J Med Chem 58: 7580-90 (2015)


BindingDB Entry DOI: 10.7270/Q2QC0591
More data for this
Ligand-Target Pair