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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50339452'   
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 9


(Homo sapiens (Human))
BDBM50339452
PNG
(1,2,3,4-Tetra-O-propionyl-6-sulfamoyl-beta-D-gluco...)
Show SMILES CCC(=O)O[C@@H]1O[C@H](COS(N)(=O)=O)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]1OC(=O)CC |r|
Show InChI InChI=1S/C18H29NO12S/c1-5-11(20)28-15-10(9-26-32(19,24)25)27-18(31-14(23)8-4)17(30-13(22)7-3)16(15)29-12(21)6-2/h10,15-18H,5-9H2,1-4H3,(H2,19,24,25)/t10-,15-,16+,17-,18+/m1/s1
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MMDB

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PC cid
PC sid
UniChem
Article
PubMed
77n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 catalytic domain by CO2 hydration assay


J Med Chem 54: 1481-9 (2011)


Article DOI: 10.1021/jm101525j
BindingDB Entry DOI: 10.7270/Q25T3KSX
More data for this
Ligand-Target Pair