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PubMed code 8201598

Compile data set for download or QSAR
Found 15 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))
BDBM50041710
PNG
(4-(1-Hydrazono-heptyl)-thiophene-2-sulfonic acid a...)
Show SMILES CCCCCCC(N=N)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H19N3O2S2/c1-2-3-4-5-6-10(14-12)9-7-11(17-8-9)18(13,15)16/h7-8,10,12H,2-6H2,1H3,(H2,13,15,16)
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n/an/a 2n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041029
PNG
((S)-4-Isobutylamino-7,7-dioxo-4,5,6,7-tetrahydro-7...)
Show SMILES CC(C)CN[C@H]1CCS(=O)(=O)c2sc(cc12)S(N)(=O)=O
Show InChI InChI=1S/C11H18N2O4S3/c1-7(2)6-13-9-3-4-19(14,15)11-8(9)5-10(18-11)20(12,16)17/h5,7,9,13H,3-4,6H2,1-2H3,(H2,12,16,17)/t9-/m0/s1
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n/an/a 4n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041719
PNG
(4-{1-[(E)-Methoxyimino]-heptyl}-thiophene-2-sulfon...)
Show SMILES CCCCCC\C(=N/OC)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C12H20N2O3S2/c1-3-4-5-6-7-11(14-17-2)10-8-12(18-9-10)19(13,15)16/h8-9H,3-7H2,1-2H3,(H2,13,15,16)/b14-11+
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n/an/a 4.70n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041718
PNG
(4-Heptanoyl-thiophene-2-sulfonic acid amide | CHEM...)
Show SMILES CCCCCCC(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H17NO3S2/c1-2-3-4-5-6-10(13)9-7-11(16-8-9)17(12,14)15/h7-8H,2-6H2,1H3,(H2,12,14,15)
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n/an/a 5n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041709
PNG
(4-{1-[(E)-Hydroxyimino]-heptyl}-thiophene-2-sulfon...)
Show SMILES CCCCCCC(N=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H18N2O3S2/c1-2-3-4-5-6-10(13-14)9-7-11(17-8-9)18(12,15)16/h7-8,10H,2-6H2,1H3,(H2,12,15,16)
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n/an/a 5.80n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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n/an/a 6n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041717
PNG
(4-Pentanoyl-thiophene-2-sulfonic acid amide | CHEM...)
Show SMILES CCCCC(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C9H13NO3S2/c1-2-3-4-8(11)7-5-9(14-6-7)15(10,12)13/h5-6H,2-4H2,1H3,(H2,10,12,13)
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n/an/a 6.30n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041716
PNG
(4-Benzoyl-thiophene-2-sulfonic acid amide | CHEMBL...)
Show SMILES NS(=O)(=O)c1cc(cs1)C(=O)c1ccccc1
Show InChI InChI=1S/C11H9NO3S2/c12-17(14,15)10-6-9(7-16-10)11(13)8-4-2-1-3-5-8/h1-7H,(H2,12,14,15)
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n/an/a 6.80n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041714
PNG
(4-(1-Hydroxy-heptyl)-thiophene-2-sulfonic acid ami...)
Show SMILES CCCCCCC(O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H19NO3S2/c1-2-3-4-5-6-10(13)9-7-11(16-8-9)17(12,14)15/h7-8,10,13H,2-6H2,1H3,(H2,12,14,15)
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n/an/a 13n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041713
PNG
(4-{1-[(E)-Hydroxyimino]-pentyl}-thiophene-2-sulfon...)
Show SMILES CCCCC(N=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C9H14N2O3S2/c1-2-3-4-8(11-12)7-5-9(15-6-7)16(10,13)14/h5-6,8H,2-4H2,1H3,(H2,10,13,14)
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n/an/a 15n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041721
PNG
(4-Acetyl-thiophene-2-sulfonic acid amide | CHEMBL2...)
Show SMILES CC(=O)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C6H7NO3S2/c1-4(8)5-2-6(11-3-5)12(7,9)10/h2-3H,1H3,(H2,7,9,10)
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n/an/a 16n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041720
PNG
(4-(1-Amino-heptyl)-thiophene-2-sulfonic acid amide...)
Show SMILES CCCCCCC(N)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C11H20N2O2S2/c1-2-3-4-5-6-10(12)9-7-11(16-8-9)17(13,14)15/h7-8,10H,2-6,12H2,1H3,(H2,13,14,15)
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n/an/a 160n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041711
PNG
(4-[1-(tert-Butyl-dimethyl-silanyloxy)-pentyl]-thio...)
Show SMILES CCCCC(O[Si](C)(C)C(C)(C)C)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C15H29NO3S2Si/c1-7-8-9-13(19-22(5,6)15(2,3)4)12-10-14(20-11-12)21(16,17)18/h10-11,13H,7-9H2,1-6H3,(H2,16,17,18)
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n/an/a 200n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041715
PNG
(4-(1-Butylamino-ethyl)-thiophene-2-sulfonic acid a...)
Show SMILES CCCCNC(C)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C10H18N2O2S2/c1-3-4-5-12-8(2)9-6-10(15-7-9)16(11,13)14/h6-8,12H,3-5H2,1-2H3,(H2,11,13,14)
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n/an/a 590n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50041712
PNG
(4-(1-Amino-pentyl)-thiophene-2-sulfonic acid amide...)
Show SMILES CCCCC(N)c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C9H16N2O2S2/c1-2-3-4-8(10)7-5-9(14-6-7)15(11,12)13/h5-6,8H,2-4,10H2,1H3,(H2,11,12,13)
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PubMed
n/an/a 626n/an/an/an/an/an/a



Allergan Inc.

Curated by ChEMBL


Assay Description
Activity against human carbonic anhydrase II


J Med Chem 37: 1646-51 (1994)


Article DOI: 10.1021/jm00037a015
BindingDB Entry DOI: 10.7270/Q2N015M1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%