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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 = 'BDBM50429923'   
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))
BDBM50429923
PNG
(CHEMBL2333415)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(N=NCc2ccccc2)c(F)c1F |w:10.9|
Show InChI InChI=1S/C13H9F4N3O2S/c14-8-10(16)13(23(18,21)22)11(17)9(15)12(8)20-19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,18,21,22)
PDB
MMDB

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PC cid
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Article
PubMed
n/an/an/a 2.90n/an/an/a7.0n/a



Vilnius University Institute of Biotechnology

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant CA2 at 37 degC and pH 7.0 by thermal shift assay


Bioorg Med Chem 21: 2093-106 (2013)


Article DOI: 10.1016/j.bmc.2013.01.008
BindingDB Entry DOI: 10.7270/Q2PV6MQK
More data for this
Ligand-Target Pair