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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 = 'BDBM50080150'   
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))
BDBM50080150
PNG
(CHEMBL3416229)
Show SMILES CCOC1Oc2ccccc2C(=O)\C1=C\Nc1ccc(cc1)S(=O)(=O)Nc1nccs1
Show InChI InChI=1S/C21H19N3O5S2/c1-2-28-20-17(19(25)16-5-3-4-6-18(16)29-20)13-23-14-7-9-15(10-8-14)31(26,27)24-21-22-11-12-30-21/h3-13,20,23H,2H2,1H3,(H,22,24)/b17-13-
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MMDB

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Similars

Article
PubMed
>1.00E+4n/an/an/an/an/an/an/an/a



Cairo University

Curated by ChEMBL


Assay Description
Inhibition of human cytosolic form of carbonic anhydrase-2 assessed as CO2 hydration activity incubated for 15 mins prior to testing by stopped flow ...


Eur J Med Chem 96: 425-35 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.033
BindingDB Entry DOI: 10.7270/Q2T155BV
More data for this
Ligand-Target Pair