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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50424254'   
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 2


(Homo sapiens (Human))
BDBM50424254
PNG
(CHEMBL2314162)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2nn(c(c2C(O)=O)-c2ccccc2)-c2cccc(c2)N=Nc2c(O)ccc3ccccc23)cc1 |w:31.33|
Show InChI InChI=1S/C33H24N6O6S/c34-46(44,45)25-16-14-22(15-17-25)35-32(41)30-28(33(42)43)31(21-8-2-1-3-9-21)39(38-30)24-11-6-10-23(19-24)36-37-29-26-12-5-4-7-20(26)13-18-27(29)40/h1-19,40H,(H,35,41)(H,42,43)(H2,34,44,45)
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12n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Un-competitive inhibition of human erythrocytes carbonic anhydrase 2 esterase activity by Lineweaver-Burk plot analysis


Bioorg Med Chem 21: 21-7 (2012)


Article DOI: 10.1016/j.bmc.2012.11.012
BindingDB Entry DOI: 10.7270/Q2NV9KJR
More data for this
Ligand-Target Pair