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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 = 'BDBM50424246'   
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))
BDBM50424246
PNG
(CHEMBL2314157)
Show SMILES COC(=O)C(=NNc1cccc(c1)-n1nc(C(=O)Nc2ccc(cc2)S(N)(=O)=O)c(C(O)=O)c1-c1ccccc1)C(=O)C(C)C |w:5.5|
Show InChI InChI=1S/C30H28N6O8S/c1-17(2)27(37)25(30(41)44-3)34-33-20-10-7-11-21(16-20)36-26(18-8-5-4-6-9-18)23(29(39)40)24(35-36)28(38)32-19-12-14-22(15-13-19)45(31,42)43/h4-17,33H,1-3H3,(H,32,38)(H,39,40)(H2,31,42,43)
PDB
MMDB

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Article
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136n/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