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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 = 'BDBM50492466'   
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))
BDBM50492466
PNG
(CHEMBL2402757)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-4-2-1-3-12(14)9-15(19)18-10-11-5-7-13(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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PC cid
PC sid
UniChem
Article
PubMed
0.770n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay


J Med Chem 56: 5773-81 (2013)


Article DOI: 10.1021/jm400418p
BindingDB Entry DOI: 10.7270/Q28W3H7J
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50492466
PNG
(CHEMBL2402757)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-4-2-1-3-12(14)9-15(19)18-10-11-5-7-13(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem
Article
PubMed
0.770n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)


Article DOI: 10.1016/j.bmc.2013.06.029
BindingDB Entry DOI: 10.7270/Q2CJ8HFM
More data for this
Ligand-Target Pair