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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 = 'BDBM50334348'   
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))
BDBM50334348
PNG
(4-(3-biphenyl-2-ylureido)benzenesulfonamide | 4-[(...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
PDB
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PC cid
PC sid
UniChem
Article
PubMed
9.70n/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
3D
3D Structure (docked)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50334348
PNG
(4-(3-biphenyl-2-ylureido)benzenesulfonamide | 4-[(...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2-c2ccccc2)cc1
Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)16-12-10-15(11-13-16)21-19(23)22-18-9-5-4-8-17(18)14-6-2-1-3-7-14/h1-13H,(H2,20,24,25)(H2,21,22,23)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
9.70n/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
3D
3D Structure (docked)