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Compile Data Set for Download or QSAR

Found 35 hits with Last Name = 'rathore' and Initial = 'p'   
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))
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 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 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
Aldose reductase


(Rattus norvegicus)
BDBM50015588
PNG
(CHEMBL3260158)
Show SMILES CCCCNC(=S)NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccc(Cl)cc1)c1ccc(cc1)N(C)C |c:19|
Show InChI InChI=1S/C28H32ClN5O2S2/c1-4-5-18-30-28(37)32-38(35,36)25-16-14-24(15-17-25)34-27(21-6-10-22(29)11-7-21)19-26(31-34)20-8-12-23(13-9-20)33(2)3/h6-17,27H,4-5,18-19H2,1-3H3,(H2,30,32,37)
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n/an/a 18n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015589
PNG
(CHEMBL3260160)
Show SMILES CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=S)NC1CCCCC1 |t:10|
Show InChI InChI=1S/C30H35N5O2S2/c1-34(2)25-15-13-22(14-16-25)28-21-29(23-9-5-3-6-10-23)35(32-28)26-17-19-27(20-18-26)39(36,37)33-30(38)31-24-11-7-4-8-12-24/h3,5-6,9-10,13-20,24,29H,4,7-8,11-12,21H2,1-2H3,(H2,31,33,38)
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n/an/a 18n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015587
PNG
(CHEMBL3260157)
Show SMILES CCCCNC(=S)NS(=O)(=O)c1ccc(cc1)N1N=C(CC1c1ccccc1)c1ccc(cc1)N(C)C |c:19|
Show InChI InChI=1S/C28H33N5O2S2/c1-4-5-19-29-28(36)31-37(34,35)25-17-15-24(16-18-25)33-27(22-9-7-6-8-10-22)20-26(30-33)21-11-13-23(14-12-21)32(2)3/h6-18,27H,4-5,19-20H2,1-3H3,(H2,29,31,36)
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n/an/a 43n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015585
PNG
(CHEMBL3259823)
Show SMILES CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccc(C)cc1)c1ccc(cc1)S(=O)(=O)NC(=S)NCc1ccccc1 |t:10|
Show InChI InChI=1S/C32H33N5O2S2/c1-23-9-11-26(12-10-23)31-21-30(25-13-15-27(16-14-25)36(2)3)34-37(31)28-17-19-29(20-18-28)41(38,39)35-32(40)33-22-24-7-5-4-6-8-24/h4-20,31H,21-22H2,1-3H3,(H2,33,35,40)
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n/an/a 70n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015586
PNG
(CHEMBL3260155)
Show SMILES CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1Cl)c1ccc(cc1)S(=O)(=O)NC(=S)NCc1ccccc1 |t:10|
Show InChI InChI=1S/C31H30ClN5O2S2/c1-36(2)24-14-12-23(13-15-24)29-20-30(27-10-6-7-11-28(27)32)37(34-29)25-16-18-26(19-17-25)41(38,39)35-31(40)33-21-22-8-4-3-5-9-22/h3-19,30H,20-21H2,1-2H3,(H2,33,35,40)
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n/an/a 85n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM50015584
PNG
(CHEMBL3260152)
Show SMILES CN(C)c1ccc(cc1)C1=NN(C(C1)c1ccccc1)c1ccc(cc1)S(=O)(=O)NC(=S)NCc1ccccc1 |t:10|
Show InChI InChI=1S/C31H31N5O2S2/c1-35(2)26-15-13-24(14-16-26)29-21-30(25-11-7-4-8-12-25)36(33-29)27-17-19-28(20-18-27)40(37,38)34-31(39)32-22-23-9-5-3-6-10-23/h3-20,30H,21-22H2,1-2H3,(H2,32,34,39)
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n/an/a 90n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
Aldose reductase


(Rattus norvegicus)
BDBM16312
PNG
((4S)-6-fluoro-2,3-dihydrospiro[1-benzopyran-4,4'-i...)
Show SMILES Fc1ccc2OCC[C@]3(NC(=O)NC3=O)c2c1 |r|
Show InChI InChI=1S/C11H9FN2O3/c12-6-1-2-8-7(5-6)11(3-4-17-8)9(15)13-10(16)14-11/h1-2,5H,3-4H2,(H2,13,14,15,16)/t11-/m0/s1
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n/an/a 8.00E+3n/an/an/an/an/an/a



Jamia Hamdard (Hamdard University)

Curated by ChEMBL


Assay Description
Inhibition of aldose reductase in rat lens by spectrophotometer analysis


Eur J Med Chem 80: 209-17 (2014)


Article DOI: 10.1016/j.ejmech.2014.04.046
BindingDB Entry DOI: 10.7270/Q2PC33ZJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)