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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 4' and Ligand = 'BDBM50097303'   
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


(Homo sapiens (Human))
BDBM50097303
PNG
(CHEMBL346691 | {{2-[Carboxymethyl-(2-{carboxymethy...)
Show SMILES NS(=O)(=O)c1nc2ccc(OCCOC(=O)CN(CCN(CCN(CC(O)=O)CC(=O)OCCOc3ccc4nc(sc4c3)S(N)(=O)=O)CC(O)=O)CC(O)=O)cc2s1
Show InChI InChI=1S/C32H39N7O16S4/c33-58(48,49)31-35-22-3-1-20(13-24(22)56-31)52-9-11-54-29(46)18-38(16-27(42)43)7-5-37(15-26(40)41)6-8-39(17-28(44)45)19-30(47)55-12-10-53-21-2-4-23-25(14-21)57-32(36-23)59(34,50)51/h1-4,13-14H,5-12,15-19H2,(H,40,41)(H,42,43)(H,44,45)(H2,33,48,49)(H2,34,50,51)
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MMDB

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PC cid
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4n/an/an/an/an/an/an/an/a



Universit£ degli Studi

Curated by ChEMBL


Assay Description
Inhibition of cloned isozyme, human carbonic anhydrase IV


Bioorg Med Chem Lett 11: 575-82 (2001)

More data for this
Ligand-Target Pair