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Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 8198   
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 6 (CA-VI)


(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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48 -41.8n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028970
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...)
Show SMILES NC1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2
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380 -36.6n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
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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420 -36.4n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM81195
PNG
((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...)
Show SMILES NC1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2
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440 -36.3n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM236511
PNG
(CA inhibitor, 6)
Show SMILES NC1Cc2ccc(Br)cc2C1
Show InChI InChI=1/C9H10BrN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
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580 -35.6n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM236510
PNG
(CA inhibitor, 5)
Show SMILES NC1Cc2cc(Br)c(Br)cc2C1
Show InChI InChI=1S/C9H9Br2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2
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780 -34.9n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50028970
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...)
Show SMILES NC1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2
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970 -34.3n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM81195
PNG
((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...)
Show SMILES NC1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2
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1.15E+3 -33.9n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(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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3.64E+4 -25.3n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM81195
PNG
((+/-)-2-Amino-6,7-dihydroxy-1,2,3,4-tetrahydronaph...)
Show SMILES NC1CCc2cc(O)c(O)cc2C1
Show InChI InChI=1S/C10H13NO2/c11-8-2-1-6-4-9(12)10(13)5-7(6)3-8/h4-5,8,12-13H,1-3,11H2
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4.11E+4 -25.0n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028970
PNG
(6-Amino-5,6,7,8-tetrahydro-naphthalene-1,2-diol | ...)
Show SMILES NC1CCc2c(C1)ccc(O)c2O
Show InChI InChI=1S/C10H13NO2/c11-7-2-3-8-6(5-7)1-4-9(12)10(8)13/h1,4,7,12-13H,2-3,5,11H2
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4.51E+4 -24.8n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM236511
PNG
(CA inhibitor, 6)
Show SMILES NC1Cc2ccc(Br)cc2C1
Show InChI InChI=1/C9H10BrN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
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1.43E+5 -21.9n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM236511
PNG
(CA inhibitor, 6)
Show SMILES NC1Cc2ccc(Br)cc2C1
Show InChI InChI=1/C9H10BrN/c10-8-2-1-6-4-9(11)5-7(6)3-8/h1-3,9H,4-5,11H2
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1.61E+5 -21.7n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM236510
PNG
(CA inhibitor, 5)
Show SMILES NC1Cc2cc(Br)c(Br)cc2C1
Show InChI InChI=1S/C9H9Br2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2
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3.63E+5 -19.6n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM236510
PNG
(CA inhibitor, 5)
Show SMILES NC1Cc2cc(Br)c(Br)cc2C1
Show InChI InChI=1S/C9H9Br2N/c10-8-3-5-1-7(12)2-6(5)4-9(8)11/h3-4,7H,1-2,12H2
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4.70E+5 -19.0n/an/an/an/an/a7.425



Agri Ibrahim Çeçen University



Assay Description
CA activity was assayed by following the change in absorbance at 348 nm of 4-nitrophenylacetate (NPA) to 4-nitrophenylate ion over a period of 3 min ...


J Enzyme Inhib Med Chem 27: 365-9 (2012)


Article DOI: 10.3109/14756366.2011.591290
BindingDB Entry DOI: 10.7270/Q2RV0MK4
More data for this
Ligand-Target Pair