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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50144820'   
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))
BDBM50144820
PNG
(2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1
Show InChI InChI=1S/C9H4F4N4O3S2/c10-2-1-3(11)6(13)4(5(2)12)7(18)15-8-16-17-9(21-8)22(14,19)20/h1H,(H2,14,19,20)(H,15,16,18)
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PC cid
PC sid
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Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against human carbonic anhydrase II (hCAII)


J Med Chem 47: 2796-804 (2004)


Article DOI: 10.1021/jm031116j
BindingDB Entry DOI: 10.7270/Q26974BC
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50144820
PNG
(2,3,5,6-Tetrafluoro-N-(5-sulfamoyl-[1,3,4]thiadiaz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2c(F)c(F)cc(F)c2F)s1
Show InChI InChI=1S/C9H4F4N4O3S2/c10-2-1-3(11)6(13)4(5(2)12)7(18)15-8-16-17-9(21-8)22(14,19)20/h1H,(H2,14,19,20)(H,15,16,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity against human carbonic anhydrase II


Bioorg Med Chem Lett 14: 2351-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.095
BindingDB Entry DOI: 10.7270/Q2D21Z4S
More data for this
Ligand-Target Pair