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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 = 'BDBM12136'   
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))
BDBM12136
PNG
(4-(hydrazinecarbonyl)benzene-1-sulfonamide | 4-Sul...)
Show SMILES NNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O3S/c8-10-7(11)5-1-3-6(4-2-5)14(9,12)13/h1-4H,8H2,(H,10,11)(H2,9,12,13)
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MMDB

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Article
PubMed
124n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 20: 2392-404 (2012)


Article DOI: 10.1016/j.bmc.2012.01.052
BindingDB Entry DOI: 10.7270/Q22B8ZGK
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM12136
PNG
(4-(hydrazinecarbonyl)benzene-1-sulfonamide | 4-Sul...)
Show SMILES NNC(=O)c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O3S/c8-10-7(11)5-1-3-6(4-2-5)14(9,12)13/h1-4H,8H2,(H,10,11)(H2,9,12,13)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
124n/an/an/an/an/an/an/an/a



Universita degli Studi di Firenze



Assay Description
An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic...


J Med Chem 48: 2121-5 (2005)


Article DOI: 10.1021/jm0494826
BindingDB Entry DOI: 10.7270/Q25X275C
More data for this
Ligand-Target Pair