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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 = 'BDBM50424248'   
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))
BDBM50424248
PNG
(CHEMBL2314155)
Show SMILES CCOC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(C)=O |w:6.6|
Show InChI InChI=1S/C29H26N6O8S/c1-3-43-29(40)24(17(2)36)33-32-20-10-7-11-21(16-20)35-26(18-8-5-4-6-9-18)23(28(38)39)25(34-35)27(37)31-19-12-14-22(15-13-19)44(30,41)42/h4-16,32H,3H2,1-2H3,(H,31,37)(H,38,39)(H2,30,41,42)
PDB
MMDB

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PC cid
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Article
PubMed
197n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Non-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