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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'senturk' and Initial = 'm'   
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))
BDBM50143813
PNG
(CHEMBL3759894)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C22H23N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-16H,1-5H2,(H2,23,27,28)
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0.980n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143808
PNG
(CHEMBL3759134)
Show SMILES CCCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H19N3O3S/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(23)22(21-18)16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)
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1.10n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143812
PNG
(CHEMBL3760118)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H17N3O4S/c23-30(27,28)20-12-8-17(9-13-20)25-22(26)15-14-21(24-25)16-6-10-19(11-7-16)29-18-4-2-1-3-5-18/h1-15H,(H2,23,27,28)
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1.20n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143812
PNG
(CHEMBL3760118)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Oc2ccccc2)cc1
Show InChI InChI=1S/C22H17N3O4S/c23-30(27,28)20-12-8-17(9-13-20)25-22(26)15-14-21(24-25)16-6-10-19(11-7-16)29-18-4-2-1-3-5-18/h1-15H,(H2,23,27,28)
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1.70n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143814
PNG
(CHEMBL3758784)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(I)cc1
Show InChI InChI=1S/C16H12IN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
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1.90n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143807
PNG
(CHEMBL3758698)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C23H19N3O3S/c24-30(28,29)21-12-10-20(11-13-21)26-23(27)15-14-22(25-26)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-15H,16H2,(H2,24,28,29)
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1.90n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143806
PNG
(CHEMBL3760111)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCCCc2c1
Show InChI InChI=1S/C20H19N3O3S/c21-27(25,26)18-9-7-17(8-10-18)23-20(24)12-11-19(22-23)16-6-5-14-3-1-2-4-15(14)13-16/h5-13H,1-4H2,(H2,21,25,26)
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2.20n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143810
PNG
(CHEMBL3758504)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCCc2c1
Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)17-8-6-16(7-9-17)22-19(23)11-10-18(21-22)15-5-4-13-2-1-3-14(13)12-15/h4-12H,1-3H2,(H2,20,24,25)
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2.20n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143811
PNG
(CHEMBL3759464)
Show SMILES CCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O4S/c1-2-25-15-7-3-13(4-8-15)17-11-12-18(22)21(20-17)14-5-9-16(10-6-14)26(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)
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2.30n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143815
PNG
(CHEMBL3759883)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H12FN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
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2.60n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143809
PNG
(CHEMBL3759757)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCc3cccc1c23
Show InChI InChI=1S/C22H17N3O3S/c23-29(27,28)17-9-7-16(8-10-17)25-21(26)13-12-20(24-25)18-11-6-15-5-4-14-2-1-3-19(18)22(14)15/h1-3,6-13H,4-5H2,(H2,23,27,28)
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2.80n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143811
PNG
(CHEMBL3759464)
Show SMILES CCOc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C18H17N3O4S/c1-2-25-15-7-3-13(4-8-15)17-11-12-18(22)21(20-17)14-5-9-16(10-6-14)26(19,23)24/h3-12H,2H2,1H3,(H2,19,23,24)
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2.90n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143808
PNG
(CHEMBL3759134)
Show SMILES CCCc1ccc(cc1)-c1ccc(=O)n(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H19N3O3S/c1-2-3-14-4-6-15(7-5-14)18-12-13-19(23)22(21-18)16-8-10-17(11-9-16)26(20,24)25/h4-13H,2-3H2,1H3,(H2,20,24,25)
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2.90n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143809
PNG
(CHEMBL3759757)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCc3cccc1c23
Show InChI InChI=1S/C22H17N3O3S/c23-29(27,28)17-9-7-16(8-10-17)25-21(26)13-12-20(24-25)18-11-6-15-5-4-14-2-1-3-19(18)22(14)15/h1-3,6-13H,4-5H2,(H2,23,27,28)
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2.90n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143814
PNG
(CHEMBL3758784)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(I)cc1
Show InChI InChI=1S/C16H12IN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
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3.10n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143816
PNG
(CHEMBL3758388)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H12BrN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
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3.30n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143815
PNG
(CHEMBL3759883)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C16H12FN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
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3.5n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143805
PNG
(CHEMBL3759344)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H11F2N3O3S/c17-13-6-1-10(9-14(13)18)15-7-8-16(22)21(20-15)11-2-4-12(5-3-11)25(19,23)24/h1-9H,(H2,19,23,24)
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3.60n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143810
PNG
(CHEMBL3758504)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCCc2c1
Show InChI InChI=1S/C19H17N3O3S/c20-26(24,25)17-8-6-16(7-9-17)22-19(23)11-10-18(21-22)15-5-4-13-2-1-3-14(13)12-15/h4-12H,1-3H2,(H2,20,24,25)
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3.60n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143813
PNG
(CHEMBL3759894)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(cc1)C1CCCCC1
Show InChI InChI=1S/C22H23N3O3S/c23-29(27,28)20-12-10-19(11-13-20)25-22(26)15-14-21(24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h6-16H,1-5H2,(H2,23,27,28)
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4.90n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143806
PNG
(CHEMBL3760111)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc2CCCCc2c1
Show InChI InChI=1S/C20H19N3O3S/c21-27(25,26)18-9-7-17(8-10-18)23-20(24)12-11-19(22-23)16-6-5-14-3-1-2-4-15(14)13-16/h5-13H,1-4H2,(H2,21,25,26)
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5.20n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50143805
PNG
(CHEMBL3759344)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(F)c(F)c1
Show InChI InChI=1S/C16H11F2N3O3S/c17-13-6-1-10(9-14(13)18)15-7-8-16(22)21(20-15)11-2-4-12(5-3-11)25(19,23)24/h1-9H,(H2,19,23,24)
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5.20n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143816
PNG
(CHEMBL3758388)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Br)cc1
Show InChI InChI=1S/C16H12BrN3O3S/c17-12-3-1-11(2-4-12)15-9-10-16(21)20(19-15)13-5-7-14(8-6-13)24(18,22)23/h1-10H,(H2,18,22,23)
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5.5n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50143807
PNG
(CHEMBL3758698)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(ccc1=O)-c1ccc(Cc2ccccc2)cc1
Show InChI InChI=1S/C23H19N3O3S/c24-30(28,29)21-12-10-20(11-13-21)26-23(27)15-14-22(25-26)19-8-6-18(7-9-19)16-17-4-2-1-3-5-17/h1-15H,16H2,(H2,24,28,29)
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8.5n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
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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12n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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15n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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31n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
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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250n/an/an/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 using p-nitrophenyl acetate as substrate by esterase assay


Bioorg Med Chem Lett 26: 1337-41 (2016)


BindingDB Entry DOI: 10.7270/Q2RV0QJX
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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320n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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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370n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 4


(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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580n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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740n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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840n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10888
PNG
(1,2-benzoxazol-3-ylmethanesulfonamide | CHEMBL750 ...)
Show SMILES NS(=O)(=O)Cc1noc2ccccc12
Show InChI InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12)
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1.10E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50240969
PNG
(5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...)
Show SMILES OC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
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1.27E+3n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by uncompetitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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2.20E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 3 (CA III)


(Bos taurus (Cattle))
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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2.20E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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2.40E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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2.70E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM7460
PNG
(2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chrome...)
Show SMILES Oc1cc(O)c2c(c1)oc(-c1ccc(O)c(O)c1)c(O)c2=O
Show InChI InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H
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3.60E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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3.70E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM7458
PNG
(5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1cc(=O)c2c(O)cc(O)cc2o1
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)13-7-12(19)15-11(18)5-10(17)6-14(15)20-13/h1-7,16-18H
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4.10E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50240969
PNG
(5-Chloro-2-hydroxy-benzoic acid | 5-Chlorosalicyli...)
Show SMILES OC(=O)c1cc(Cl)ccc1O
Show InChI InChI=1S/C7H5ClO3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,9H,(H,10,11)
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4.16E+3n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 esterase activity by uncompetitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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4.40E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26658
PNG
(2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-1-benzopy...)
Show SMILES Oc1ccc(c(O)c1)-c1oc2cc(O)cc(O)c2c(=O)c1O
Show InChI InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
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4.40E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 3 (CA III)


(Bos taurus (Cattle))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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4.60E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 3 (CA III)


(Bos taurus (Cattle))
BDBM7459
PNG
(2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
Show InChI InChI=1S/C15H10O6/c16-8-4-11(19)15-12(20)6-13(21-14(15)5-8)7-1-2-9(17)10(18)3-7/h1-6,16-19H
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5.40E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50275340
PNG
(4,6-Dinitro salicylic acid | CHEMBL447810)
Show SMILES OC(=O)c1c(O)cc(cc1[N+]([O-])=O)[N+]([O-])=O
Show InChI InChI=1S/C7H4N2O7/c10-5-2-3(8(13)14)1-4(9(15)16)6(5)7(11)12/h1-2,10H,(H,11,12)
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5.45E+3n/an/an/an/an/an/an/an/a



Ataturk University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 esterase activity by non-competitive Lineweaver-Burk plot


Bioorg Med Chem 16: 9101-5 (2008)


Article DOI: 10.1016/j.bmc.2008.09.028
BindingDB Entry DOI: 10.7270/Q2GB23W2
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM23416
PNG
(α-CA inhibitor, 3 | (+)-Catechin | (2R,3S)-2-...)
Show SMILES O[C@H]1Cc2c(O)cc(O)cc2O[C@@H]1c1ccc(O)c(O)c1 |r|
Show InChI InChI=1S/C15H14O6/c16-8-4-11(18)9-6-13(20)15(21-14(9)5-8)7-1-2-10(17)12(19)3-7/h1-5,13,15-20H,6H2/t13-,15+/m0/s1
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5.60E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
Carbonic anhydrase 3 (CA III)


(Bos taurus (Cattle))
BDBM26188
PNG
(α-CA inhibitor, 12 | 1,2-Dihydroxybenzene, XI...)
Show SMILES Oc1ccccc1O
Show InChI InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-4,7-8H
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6.50E+3n/an/an/an/an/an/a7.4n/a



Ondokuz Mayis University



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


J Enzyme Inhib Med Chem 28: 283-8 (2013)


Article DOI: 10.3109/14756366.2011.643303
BindingDB Entry DOI: 10.7270/Q2QR4W1F
More data for this
Ligand-Target Pair
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