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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 = 'BDBM50381334'   
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))
BDBM50381334
PNG
(CHEMBL2019151)
Show SMILES COc1ccc2c(c1)oc(N)c(-c1ccc(OC)c(OC)c1)c2=O
Show InChI InChI=1S/C18H17NO5/c1-21-11-5-6-12-14(9-11)24-18(19)16(17(12)20)10-4-7-13(22-2)15(8-10)23-3/h4-9H,19H2,1-3H3
PDB
MMDB

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Similars

Article
PubMed
n/an/a 8.35E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
BindingDB Entry DOI: 10.7270/Q2J1045T
More data for this
Ligand-Target Pair