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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 = 'BDBM50190243'   
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))
BDBM50190243
PNG
(6-{[7-(aminosulfonyl)-1,1-dioxido-3,4-dihydro-2H-1...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1SSc1cc2NCNS(=O)(=O)c2cc1S(N)(=O)=O
Show InChI InChI=1S/C14H16N6O8S6/c15-31(21,22)13-3-11-7(17-5-19-33(11,25)26)1-9(13)29-30-10-2-8-12(4-14(10)32(16,23)24)34(27,28)20-6-18-8/h1-4,17-20H,5-6H2,(H2,15,21,22)(H2,16,23,24)
PDB
MMDB

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KEGG
PC cid
PC sid
UniChem
Article
PubMed
780n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair