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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 2' and Ligand = 'BDBM50428519'   
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))
BDBM50428519
PNG
(CHEMBL2336619)
Show SMILES Cc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C17H17N3O3S/c1-12-2-4-13(5-3-12)17-10-14(11-21)19-20(17)15-6-8-16(9-7-15)24(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)
PDB
MMDB

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Similars

Article
PubMed
176n/an/an/an/an/an/an/an/a



Univ. Lille Nord de France

Curated by ChEMBL


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


Bioorg Med Chem 21: 1451-64 (2013)


Article DOI: 10.1016/j.bmc.2012.10.029
BindingDB Entry DOI: 10.7270/Q2ZS2XVC
More data for this
Ligand-Target Pair