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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM10886'   
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 4


(Bos taurus (bovine))
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
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PubMed
12n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibitory activity against Carbonic anhydrase IV isolated from bovine lung


Bioorg Med Chem Lett 13: 2867-73 (2003)


BindingDB Entry DOI: 10.7270/Q2BR8SQ8
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10886
PNG
(2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide | ...)
Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1
Show InChI InChI=1S/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)
PDB
MMDB

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Article
PubMed
12 -44.5n/an/an/an/an/a7.420



Università degli Studi di Firenze



Assay Description
The initial rates of 4-nitrophenylacetate hydrolysis catalysed by different CA isozymes were monitored spectrophotometrically at 400nm with a Cary 3 ...


J Enzyme Inhib Med Chem 19: 269-73 (2004)


Article DOI: 10.1080/14756360410001689559
BindingDB Entry DOI: 10.7270/Q20C4TBB
More data for this
Ligand-Target Pair