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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 = 'BDBM50334359'   
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))
BDBM50334359
PNG
(4-(3-(2-methoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-21-13-5-3-2-4-12(13)17-14(18)16-10-6-8-11(9-7-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.07E+3n/an/an/an/an/an/an/an/a



Universita` degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay


J Med Chem 54: 1896-902 (2011)


Article DOI: 10.1021/jm101541x
BindingDB Entry DOI: 10.7270/Q2CC110M
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334359
PNG
(4-(3-(2-methoxyphenyl)ureido)benzenesulfonamide | ...)
Show SMILES COc1ccccc1NC(=O)Nc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H15N3O4S/c1-21-13-5-3-2-4-12(13)17-14(18)16-10-6-8-11(9-7-10)22(15,19)20/h2-9H,1H3,(H2,15,19,20)(H2,16,17,18)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
4.07E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay


Bioorg Med Chem Lett 21: 102-5 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.064
BindingDB Entry DOI: 10.7270/Q2WS8TH9
More data for this
Ligand-Target Pair