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PubMed code 12873509

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 2


(Homo sapiens (human))
BDBM11635
PNG
(4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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Article
PubMed
5n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 2759-63 (2003)


Article DOI: 10.1016/s0960-894x(03)00508-0
BindingDB Entry DOI: 10.7270/Q2959GZW
More data for this
Ligand-Target Pair
Carbonic Anhydrase IV


(Bos taurus (bovine))
BDBM11635
PNG
(4-sulfamoyl-N-[2-(4-sulfamoylphenyl)ethyl]benzamid...)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H17N3O5S2/c16-24(20,21)13-5-1-11(2-6-13)9-10-18-15(19)12-3-7-14(8-4-12)25(17,22)23/h1-8H,9-10H2,(H,18,19)(H2,16,20,21)(H2,17,22,23)
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PubMed
13n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against Carbonic anhydrase IV


Bioorg Med Chem Lett 13: 2759-63 (2003)


Article DOI: 10.1016/s0960-894x(03)00508-0
BindingDB Entry DOI: 10.7270/Q2959GZW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM10861
PNG
(4-(2-aminoethyl)benzene-1-sulfonamide | CHEMBL7087...)
Show SMILES NCCc1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
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Article
PubMed
160n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 2759-63 (2003)


Article DOI: 10.1016/s0960-894x(03)00508-0
BindingDB Entry DOI: 10.7270/Q2959GZW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM4703
PNG
(4-carboxybenzenesulfonamide 1 | 4-sulfamoylbenzoic...)
Show SMILES NS(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C7H7NO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)(H2,8,11,12)
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Article
PubMed
260n/an/an/an/an/an/an/an/a



Università degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibitory activity of the compound against human carbonic anhydrase II (hCA II)


Bioorg Med Chem Lett 13: 2759-63 (2003)


Article DOI: 10.1016/s0960-894x(03)00508-0
BindingDB Entry DOI: 10.7270/Q2959GZW
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%