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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 = 'BDBM50314544'   
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))
BDBM50314544
PNG
(CHEMBL1091779 | N-4-(Aminosulfonyl)phenethyl-S-(2,...)
Show SMILES CC(=O)OC[C@H]1O[C@@H](SNCCc2ccc(cc2)S(N)(=O)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C22H30N2O11S2/c1-12(25)31-11-18-19(32-13(2)26)20(33-14(3)27)21(34-15(4)28)22(35-18)36-24-10-9-16-5-7-17(8-6-16)37(23,29)30/h5-8,18-22,24H,9-11H2,1-4H3,(H2,23,29,30)/t18-,19-,20+,21-,22+/m1/s1
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MMDB

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Article
PubMed
14.5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay


J Med Chem 53: 2913-26 (2010)


Article DOI: 10.1021/jm901888x
BindingDB Entry DOI: 10.7270/Q2DN460W
More data for this
Ligand-Target Pair