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PubMed code 23463940

Compile data set for download or QSAR
Found 4 hits of Enzyme Inhibition Constant Data   
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))
BDBM50334346
PNG
(4-(3-(2-cyanophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2C#N)cc1
Show InChI InChI=1S/C14H12N4O3S/c15-9-10-3-1-2-4-13(10)18-14(19)17-11-5-7-12(8-6-11)22(16,20)21/h1-8H,(H2,16,20,21)(H2,17,18,19)
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Article
PubMed
0.300n/an/an/an/an/an/an/an/a



BC Cancer Agency



Assay Description
The inhibition constants (Ki) of FEC to four human CA isoenzymes I, II, IX and XII were determined by CA catalyzed CO2 hydration assays following pre...


J Enzyme Inhib Med Chem 29: 249-55 (2014)


Article DOI: 10.3109/14756366.2013.773994
BindingDB Entry DOI: 10.7270/Q2VM4B6X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334349
PNG
(4-(3-(3-nitrophenyl)ureido)benzenesulfonamide | 4-...)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1
Show InChI InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18)
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Article
PubMed
0.900n/an/an/an/an/an/an/an/a



BC Cancer Agency



Assay Description
The inhibition constants (Ki) of FEC to four human CA isoenzymes I, II, IX and XII were determined by CA catalyzed CO2 hydration assays following pre...


J Enzyme Inhib Med Chem 29: 249-55 (2014)


Article DOI: 10.3109/14756366.2013.773994
BindingDB Entry DOI: 10.7270/Q2VM4B6X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50334360
PNG
(4-(3-(4-acetylphenyl)ureido)benzenesulfonamide | 4...)
Show SMILES CC(=O)c1ccc(NC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15N3O4S/c1-10(19)11-2-4-12(5-3-11)17-15(20)18-13-6-8-14(9-7-13)23(16,21)22/h2-9H,1H3,(H2,16,21,22)(H2,17,18,20)
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PubMed
5.40n/an/an/an/an/an/an/an/a



BC Cancer Agency



Assay Description
The inhibition constants (Ki) of FEC to four human CA isoenzymes I, II, IX and XII were determined by CA catalyzed CO2 hydration assays following pre...


J Enzyme Inhib Med Chem 29: 249-55 (2014)


Article DOI: 10.3109/14756366.2013.773994
BindingDB Entry DOI: 10.7270/Q2VM4B6X
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM246610
PNG
(CA IX inhibitor, (B)2)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)C[N+]23CC(=O)O[Re-]2(C=O)(C=O)(C=O)[n+]2ccccc2C3)cc1
Show InChI InChI=1S/C18H22N4O5S.3CHO.Re/c19-28(26,27)16-6-4-14(5-7-16)8-10-21-17(23)12-22(13-18(24)25)11-15-3-1-2-9-20-15;3*1-2;/h1-7,9H,8,10-13H2,(H,21,23)(H,24,25)(H2,19,26,27);3*1H;/q;;;;+2/p-1
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58n/an/an/an/an/an/an/an/a



BC Cancer Agency



Assay Description
The inhibition constants (Ki) of FEC to four human CA isoenzymes I, II, IX and XII were determined by CA catalyzed CO2 hydration assays following pre...


J Enzyme Inhib Med Chem 29: 249-55 (2014)


Article DOI: 10.3109/14756366.2013.773994
BindingDB Entry DOI: 10.7270/Q2VM4B6X
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%