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Compile Data Set for Download or QSAR

Found 2 hits of ic50 for drug = Aldactazide   
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))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
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MMDB

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KEGG

UniProtKB/SwissProt

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KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a 5.50E+3n/an/an/an/a7.425



University of Marburg



Assay Description
Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt...


J Med Chem 45: 3588-602 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Cytochrome P450 2J2


(Homo sapiens (Human))
BDBM13076
PNG
(6-chloro-1,1-dioxo-3,4-dihydro-2H-1,2,4-benzothiad...)
Show SMILES NS(=O)(=O)c1cc2c(NCNS2(=O)=O)cc1Cl
Show InChI InChI=1S/C7H8ClN3O4S2/c8-4-1-5-7(2-6(4)16(9,12)13)17(14,15)11-3-10-5/h1-2,10-11H,3H2,(H2,9,12,13)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents

Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



School of Life Science and Technology, Tongji University, 1239 Si Ping Road, Shanghai 200092, China.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CYP2J2 assessed as reduction in astemizole O-demethylation by LC-MS/MS method


Drug Metab Dispos 41: 60-71 (2012)

More data for this
Ligand-Target Pair