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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 = 'BDBM50314543'   
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))
BDBM50314543
PNG
(CHEMBL1088997 | N-(4-Aminosulfonyl)benzyl-S-(1-thi...)
Show SMILES NS(=O)(=O)c1ccc(CNS(=O)(=O)[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)C(O)=O)cc1 |r|
Show InChI InChI=1S/C13H18N2O10S2/c14-26(21,22)7-3-1-6(2-4-7)5-15-27(23,24)13-10(18)8(16)9(17)11(25-13)12(19)20/h1-4,8-11,13,15-18H,5H2,(H,19,20)(H2,14,21,22)/t8-,9+,10+,11-,13-/m0/s1
PDB
MMDB

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PC cid
PC sid
UniChem
Article
PubMed
97n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA9 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