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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic Anhydrase IV' and Ligand = 'BDBM50088762'   
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 IV


(Bos taurus (bovine))
BDBM50088762
PNG
(CHEMBL13614 | N,N-dialkylthio-carbonylsulfenylamin...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccc(NSC(=S)N3CCOCC3)cc2)s1
Show InChI InChI=1S/C13H16N6O5S5/c14-28(20,21)12-16-15-11(26-12)18-29(22,23)10-3-1-9(2-4-10)17-27-13(25)19-5-7-24-8-6-19/h1-4,17H,5-8H2,(H,15,18)(H2,14,20,21)
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PC cid
PC sid
UniChem
PubMed
4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of bovine carbonic anhydrase IV from bovine lung microsomes


Bioorg Med Chem Lett 10: 1117-20 (2000)

More data for this
Ligand-Target Pair