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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 = 'BDBM50314535'   
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))
BDBM50314535
PNG
(CHEMBL1091781 | Methyl N-4-(Aminosulfonyl)phenethy...)
Show SMILES COC(=O)[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/C21H28N2O11S2/c1-11(24)31-16-17(32-12(2)25)19(33-13(3)26)21(34-18(16)20(27)30-4)35-23-10-9-14-5-7-15(8-6-14)36(22,28)29/h5-8,16-19,21,23H,9-10H2,1-4H3,(H2,22,28,29)/t16-,17+,18+,19-,21+/m1/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
16.2n/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