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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 = 'BDBM50040426'   
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))
BDBM50040426
PNG
(CHEMBL3360587)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)CCCNC(=O)Nc2ccccc2)cc1
Show InChI InChI=1S/C19H24N4O4S/c20-28(26,27)17-10-8-15(9-11-17)12-14-21-18(24)7-4-13-22-19(25)23-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-14H2,(H,21,24)(H2,20,26,27)(H2,22,23,25)
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Article
PubMed
4.90n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 6768-75 (2015)


Article DOI: 10.1016/j.bmc.2014.10.041
BindingDB Entry DOI: 10.7270/Q2697560
More data for this
Ligand-Target Pair