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PubMed code 1433194

Compile data set for download or QSAR
Found 12 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))
BDBM50003252
PNG
(4-(4-Morpholin-4-ylmethyl-benzenesulfonyl)-thiophe...)
Show SMILES NS(=O)(=O)c1cc(cs1)S(=O)(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C15H18N2O5S3/c16-25(20,21)15-9-14(11-23-15)24(18,19)13-3-1-12(2-4-13)10-17-5-7-22-8-6-17/h1-4,9,11H,5-8,10H2,(H2,16,20,21)
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PubMed
1.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003246
PNG
(4-(3-Dimethylaminomethyl-4-hydroxy-benzenesulfonyl...)
Show SMILES CN(C)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N2O6S2/c1-15(2)7-9-5-10(3-4-12(9)16)22(17,18)11-6-13(21-8-11)23(14,19)20/h3-6,8,16H,7H2,1-2H3,(H2,14,19,20)
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PubMed
2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003247
PNG
(4-(4-Morpholin-4-ylmethyl-benzoyl)-thiophene-2-sul...)
Show SMILES NS(=O)(=O)c1cc(cs1)C(=O)c1ccc(CN2CCOCC2)cc1
Show InChI InChI=1S/C16H18N2O4S2/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-12(2-4-13)10-18-5-7-22-8-6-18/h1-4,9,11H,5-8,10H2,(H2,17,20,21)
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3.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003244
PNG
(4-(3-Diethylaminomethyl-4-hydroxy-benzenesulfonyl)...)
Show SMILES CCN(CC)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O6S2/c1-3-17(4-2)9-11-7-12(5-6-14(11)18)24(19,20)13-8-15(23-10-13)25(16,21)22/h5-8,10,18H,3-4,9H2,1-2H3,(H2,16,21,22)
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4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003246
PNG
(4-(3-Dimethylaminomethyl-4-hydroxy-benzenesulfonyl...)
Show SMILES CN(C)Cc1cc(ccc1O)S(=O)(=O)c1coc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H16N2O6S2/c1-15(2)7-9-5-10(3-4-12(9)16)22(17,18)11-6-13(21-8-11)23(14,19)20/h3-6,8,16H,7H2,1-2H3,(H2,14,19,20)
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4.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003245
PNG
(4-[4-(Isobutylamino-methyl)-benzenesulfonyl]-thiop...)
Show SMILES CC(C)CNCc1ccc(cc1)S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-3-5-13(6-4-12)23(18,19)14-7-15(22-10-14)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21)
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6.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003251
PNG
(4-(4-Hydroxy-benzenesulfonyl)-thiophene-2-sulfonic...)
Show SMILES NS(=O)(=O)c1cc(cs1)S(=O)(=O)c1ccc(O)cc1
Show InChI InChI=1S/C10H9NO5S3/c11-19(15,16)10-5-9(6-17-10)18(13,14)8-3-1-7(12)2-4-8/h1-6,12H,(H2,11,15,16)
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8n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003243
PNG
(4-(3-Morpholin-4-ylmethyl-benzoyl)-thiophene-2-sul...)
Show SMILES NS(=O)(=O)c1cc(cs1)C(=O)c1cccc(CN2CCOCC2)c1
Show InChI InChI=1S/C16H18N2O4S2/c17-24(20,21)15-9-14(11-23-15)16(19)13-3-1-2-12(8-13)10-18-4-6-22-7-5-18/h1-3,8-9,11H,4-7,10H2,(H2,17,20,21)
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003242
PNG
(4-[3-(Isobutylamino-methyl)-benzoyl]-thiophene-2-s...)
Show SMILES CC(C)CNCc1cccc(c1)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O3S2/c1-11(2)8-18-9-12-4-3-5-13(6-12)16(19)14-7-15(22-10-14)23(17,20)21/h3-7,10-11,18H,8-9H2,1-2H3,(H2,17,20,21)
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15n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003248
PNG
(4-(3-Diethylaminomethyl-4-hydroxy-benzoyl)-thiophe...)
Show SMILES CCN(CC)Cc1cc(ccc1O)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C16H20N2O4S2/c1-3-18(4-2)9-12-7-11(5-6-14(12)19)16(20)13-8-15(23-10-13)24(17,21)22/h5-8,10,19H,3-4,9H2,1-2H3,(H2,17,21,22)
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19n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003249
PNG
(4-[2-(Isobutylamino-methyl)-benzenesulfonyl]-thiop...)
Show SMILES CC(C)CNCc1ccccc1S(=O)(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H20N2O4S3/c1-11(2)8-17-9-12-5-3-4-6-14(12)23(18,19)13-7-15(22-10-13)24(16,20)21/h3-7,10-11,17H,8-9H2,1-2H3,(H2,16,20,21)
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21n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase II


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50003250
PNG
(4-(3-Dimethylaminomethyl-4-hydroxy-benzoyl)-thioph...)
Show SMILES CN(C)Cc1cc(ccc1O)C(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C14H16N2O4S2/c1-16(2)7-10-5-9(3-4-12(10)17)14(18)11-6-13(21-8-11)22(15,19)20/h3-6,8,17H,7H2,1-2H3,(H2,15,19,20)
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34n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Compound was tested in vitro for binding affinity against human carbonic anhydrase II; (ki*10e-9)


J Med Chem 35: 3822-31 (1992)


Article DOI: 10.1021/jm00099a010
BindingDB Entry DOI: 10.7270/Q2ZG6SV4
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%