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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 = 'BDBM50395388'   
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))
BDBM50395388
PNG
(CHEMBL2164730)
Show SMILES NS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H11N3O4S2/c8-15(11,12)7-3-1-6(2-4-7)5-10-16(9,13)14/h1-4,10H,5H2,(H2,8,11,12)(H2,9,13,14)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.17E+3n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of full length human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50395388
PNG
(CHEMBL2164730)
Show SMILES NS(=O)(=O)NCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H11N3O4S2/c8-15(11,12)7-3-1-6(2-4-7)5-10-16(9,13)14/h1-4,10H,5H2,(H2,8,11,12)(H2,9,13,14)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.24E+3n/an/an/an/an/an/an/an/a



Istituto di Biostrutture e Bioimmagini-CNR

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using 4-nitrophenylacetate as substrate preincubated for 10 mins by spectrophotometric esterase assay


J Med Chem 55: 6776-83 (2012)


Article DOI: 10.1021/jm300818k
BindingDB Entry DOI: 10.7270/Q2736S2H
More data for this
Ligand-Target Pair