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Compile Data Set for Download or QSAR

Found 36 hits with Last Name = 'mohamed' and Initial = 'ma'   
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))
BDBM50256789
PNG
(CHEMBL4082361)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C22H14IN3O7S/c23-12-2-8-18(17(10-12)22(30)31)25-19(27)11-1-7-15-16(9-11)21(29)26(20(15)28)13-3-5-14(6-4-13)34(24,32)33/h1-10H,(H,25,27)(H,30,31)(H2,24,32,33)
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2.10n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256787
PNG
(CHEMBL4105131)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(I)cc2C(O)=O)cc1
Show InChI InChI=1S/C23H16IN3O7S/c24-14-4-8-19(18(10-14)23(31)32)26-20(28)13-3-7-16-17(9-13)22(30)27(21(16)29)11-12-1-5-15(6-2-12)35(25,33)34/h1-10H,11H2,(H,26,28)(H,31,32)(H2,25,33,34)
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2.5n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256758
PNG
(CHEMBL4059883)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(cc1OC)C(O)=O
Show InChI InChI=1S/C24H19N3O9S/c1-35-19-10-17(24(31)32)18(11-20(19)36-2)26-21(28)12-3-8-15-16(9-12)23(30)27(22(15)29)13-4-6-14(7-5-13)37(25,33)34/h3-11H,1-2H3,(H,26,28)(H,31,32)(H2,25,33,34)
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3.20n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256787
PNG
(CHEMBL4105131)
Show SMILES NS(=O)(=O)c1ccc(CN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(I)cc2C(O)=O)cc1
Show InChI InChI=1S/C23H16IN3O7S/c24-14-4-8-19(18(10-14)23(31)32)26-20(28)13-3-7-16-17(9-13)22(30)27(21(16)29)11-12-1-5-15(6-2-12)35(25,33)34/h1-10H,11H2,(H,26,28)(H,31,32)(H2,25,33,34)
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4.90n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256757
PNG
(CHEMBL4063781)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C23H17N3O7S/c1-12-2-9-19(18(10-12)23(30)31)25-20(27)13-3-8-16-17(11-13)22(29)26(21(16)28)14-4-6-15(7-5-14)34(24,32)33/h2-11H,1H3,(H,25,27)(H,30,31)(H2,24,32,33)
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5.40n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256774
PNG
(CHEMBL4075621)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C24H19N3O7S/c1-13-2-9-20(19(10-13)24(31)32)26-21(28)15-5-8-17-18(11-15)23(30)27(22(17)29)12-14-3-6-16(7-4-14)35(25,33)34/h2-11H,12H2,1H3,(H,26,28)(H,31,32)(H2,25,33,34)
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8n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256769
PNG
(CHEMBL4094824)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(I)cc2C(O)=O)cc1
Show InChI InChI=1S/C24H18IN3O7S/c25-15-4-8-20(19(12-15)24(32)33)27-21(29)14-3-7-17-18(11-14)23(31)28(22(17)30)10-9-13-1-5-16(6-2-13)36(26,34)35/h1-8,11-12H,9-10H2,(H,27,29)(H,32,33)(H2,26,34,35)
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8.40n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256788
PNG
(CHEMBL4068637)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)N(CCc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C25H21N3O7S/c1-14-2-9-21(20(12-14)25(32)33)27-22(29)16-5-8-18-19(13-16)24(31)28(23(18)30)11-10-15-3-6-17(7-4-15)36(26,34)35/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,32,33)(H2,26,34,35)
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8.5n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256789
PNG
(CHEMBL4082361)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C(=O)c2ccc(cc2C1=O)C(=O)Nc1ccc(I)cc1C(O)=O
Show InChI InChI=1S/C22H14IN3O7S/c23-12-2-8-18(17(10-12)22(30)31)25-19(27)11-1-7-15-16(9-11)21(29)26(20(15)28)13-3-5-14(6-4-13)34(24,32)33/h1-10H,(H,25,27)(H,30,31)(H2,24,32,33)
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8.70n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256769
PNG
(CHEMBL4094824)
Show SMILES NS(=O)(=O)c1ccc(CCN2C(=O)c3ccc(cc3C2=O)C(=O)Nc2ccc(I)cc2C(O)=O)cc1
Show InChI InChI=1S/C24H18IN3O7S/c25-15-4-8-20(19(12-15)24(32)33)27-21(29)14-3-7-17-18(11-14)23(31)28(22(17)30)10-9-13-1-5-16(6-2-13)36(26,34)35/h1-8,11-12H,9-10H2,(H,27,29)(H,32,33)(H2,26,34,35)
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8.80n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256757
PNG
(CHEMBL4063781)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(c1)C(O)=O
Show InChI InChI=1S/C23H17N3O7S/c1-12-2-9-19(18(10-12)23(30)31)25-20(27)13-3-8-16-17(11-13)22(29)26(21(16)28)14-4-6-15(7-5-14)34(24,32)33/h2-11H,1H3,(H,25,27)(H,30,31)(H2,24,32,33)
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9.10n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
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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Article
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12n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256770
PNG
(CHEMBL4067935)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(CCc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C26H23N3O9S/c1-37-21-12-19(26(33)34)20(13-22(21)38-2)28-23(30)15-5-8-17-18(11-15)25(32)29(24(17)31)10-9-14-3-6-16(7-4-14)39(27,35)36/h3-8,11-13H,9-10H2,1-2H3,(H,28,30)(H,33,34)(H2,27,35,36)
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17n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50256775
PNG
(CHEMBL4076976)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C25H21N3O9S/c1-36-20-10-18(25(32)33)19(11-21(20)37-2)27-22(29)14-5-8-16-17(9-14)24(31)28(23(16)30)12-13-3-6-15(7-4-13)38(26,34)35/h3-11H,12H2,1-2H3,(H,27,29)(H,32,33)(H2,26,34,35)
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22n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256788
PNG
(CHEMBL4068637)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)N(CCc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C25H21N3O7S/c1-14-2-9-21(20(12-14)25(32)33)27-22(29)16-5-8-18-19(13-16)24(31)28(23(18)30)11-10-15-3-6-17(7-4-15)36(26,34)35/h2-9,12-13H,10-11H2,1H3,(H,27,29)(H,32,33)(H2,26,34,35)
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25n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256774
PNG
(CHEMBL4075621)
Show SMILES Cc1ccc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(c1)C(O)=O
Show InChI InChI=1S/C24H19N3O7S/c1-13-2-9-20(19(10-13)24(31)32)26-21(28)15-5-8-17-18(11-15)23(30)27(22(17)29)12-14-3-6-16(7-4-14)35(25,33)34/h2-11H,12H2,1H3,(H,26,28)(H,31,32)(H2,25,33,34)
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40n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256758
PNG
(CHEMBL4059883)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)S(N)(=O)=O)c(cc1OC)C(O)=O
Show InChI InChI=1S/C24H19N3O9S/c1-35-19-10-17(24(31)32)18(11-20(19)36-2)26-21(28)12-3-8-15-16(9-12)23(30)27(22(15)29)13-4-6-14(7-5-13)37(25,33)34/h3-11H,1-2H3,(H,26,28)(H,31,32)(H2,25,33,34)
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53n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256770
PNG
(CHEMBL4067935)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(CCc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C26H23N3O9S/c1-37-21-12-19(26(33)34)20(13-22(21)38-2)28-23(30)15-5-8-17-18(11-15)25(32)29(24(17)31)10-9-14-3-6-16(7-4-14)39(27,35)36/h3-8,11-13H,9-10H2,1-2H3,(H,28,30)(H,33,34)(H2,27,35,36)
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91n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50256775
PNG
(CHEMBL4076976)
Show SMILES COc1cc(NC(=O)c2ccc3C(=O)N(Cc4ccc(cc4)S(N)(=O)=O)C(=O)c3c2)c(cc1OC)C(O)=O
Show InChI InChI=1S/C25H21N3O9S/c1-36-20-10-18(25(32)33)19(11-21(20)37-2)27-22(29)14-5-8-16-17(9-14)24(31)28(23(16)30)12-13-3-6-15(7-4-13)38(26,34)35/h3-11H,12H2,1-2H3,(H,27,29)(H,32,33)(H2,26,34,35)
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96n/an/an/an/an/an/an/an/a



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
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



Department of Pharmaceutical Chemistry, College of Pharmacy, Prince Sattam Bin Abdulaziz University, Al Kharj, Saudi Arabia; Department of Organic Chemistry, Faculty of Pharmacy, Al-Azhar University,

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem 25: 2524-2529 (2017)


Article DOI: 10.1016/j.bmc.2017.03.017
BindingDB Entry DOI: 10.7270/Q2TX3HTG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a 300n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50180630
PNG
(CHEMBL3814616)
Show SMILES Fc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc1
Show InChI InChI=1S/C23H19FN4O2S/c24-16-8-10-18(11-9-16)26-21(29)15-31-23-27-20-7-2-1-6-19(20)22(30)28(23)14-12-17-5-3-4-13-25-17/h1-11,13H,12,14-15H2,(H,26,29)
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n/an/a 330n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50180632
PNG
(CHEMBL3813998)
Show SMILES COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc(OC)c1OC
Show InChI InChI=1S/C26H26N4O5S/c1-33-21-14-18(15-22(34-2)24(21)35-3)28-23(31)16-36-26-29-20-10-5-4-9-19(20)25(32)30(26)13-11-17-8-6-7-12-27-17/h4-10,12,14-15H,11,13,16H2,1-3H3,(H,28,31)
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n/an/a 400n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50180635
PNG
(CHEMBL3815106)
Show SMILES NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1
Show InChI InChI=1S/C17H17N5O2S/c18-21-15(23)11-25-17-20-14-7-2-1-6-13(14)16(24)22(17)10-8-12-5-3-4-9-19-12/h1-7,9H,8,10-11,18H2,(H,21,23)
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n/an/a 700n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50180633
PNG
(CHEMBL3814898)
Show SMILES COc1cc(NC(=O)CCSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc(OC)c1OC
Show InChI InChI=1S/C27H28N4O5S/c1-34-22-16-19(17-23(35-2)25(22)36-3)29-24(32)12-15-37-27-30-21-10-5-4-9-20(21)26(33)31(27)14-11-18-8-6-7-13-28-18/h4-10,13,16-17H,11-12,14-15H2,1-3H3,(H,29,32)
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n/an/a 700n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50180631
PNG
(CHEMBL3813973)
Show SMILES COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc1
Show InChI InChI=1S/C24H22N4O3S/c1-31-19-11-9-18(10-12-19)26-22(29)16-32-24-27-21-8-3-2-7-20(21)23(30)28(24)15-13-17-6-4-5-14-25-17/h2-12,14H,13,15-16H2,1H3,(H,26,29)
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n/an/a 800n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50180629
PNG
(CHEMBL3814962)
Show SMILES Sc1nc2ccccc2c(=O)n1CCc1ccccn1
Show InChI InChI=1S/C15H13N3OS/c19-14-12-6-1-2-7-13(12)17-15(20)18(14)10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,20)
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n/an/a 2.00E+3n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 2


(Ovis aries (Sheep))
BDBM50180634
PNG
(CHEMBL3814371)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1
Show InChI InChI=1S/C23H18FN3O2S/c24-17-10-8-16(9-11-17)21(28)15-30-23-26-20-7-2-1-6-19(20)22(29)27(23)14-12-18-5-3-4-13-25-18/h1-11,13H,12,14-15H2
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n/an/a 1.04E+4n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX2 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50180635
PNG
(CHEMBL3815106)
Show SMILES NNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1
Show InChI InChI=1S/C17H17N5O2S/c18-21-15(23)11-25-17-20-14-7-2-1-6-13(14)16(24)22(17)10-8-12-5-3-4-9-19-12/h1-7,9H,8,10-11,18H2,(H,21,23)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM11639
PNG
(4-[5-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyraz...)
Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(F)(F)F
Show InChI InChI=1S/C17H14F3N3O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-23(15)13-6-8-14(9-7-13)26(21,24)25/h2-10H,1H3,(H2,21,24,25)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50180629
PNG
(CHEMBL3814962)
Show SMILES Sc1nc2ccccc2c(=O)n1CCc1ccccn1
Show InChI InChI=1S/C15H13N3OS/c19-14-12-6-1-2-7-13(12)17-15(20)18(14)10-8-11-5-3-4-9-16-11/h1-7,9H,8,10H2,(H,17,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50180630
PNG
(CHEMBL3814616)
Show SMILES Fc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc1
Show InChI InChI=1S/C23H19FN4O2S/c24-16-8-10-18(11-9-16)26-21(29)15-31-23-27-20-7-2-1-6-19(20)22(30)28(23)14-12-17-5-3-4-13-25-17/h1-11,13H,12,14-15H2,(H,26,29)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50180633
PNG
(CHEMBL3814898)
Show SMILES COc1cc(NC(=O)CCSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc(OC)c1OC
Show InChI InChI=1S/C27H28N4O5S/c1-34-22-16-19(17-23(35-2)25(22)36-3)29-24(32)12-15-37-27-30-21-10-5-4-9-20(21)26(33)31(27)14-11-18-8-6-7-13-28-18/h4-10,13,16-17H,11-12,14-15H2,1-3H3,(H,29,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50180632
PNG
(CHEMBL3813998)
Show SMILES COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc(OC)c1OC
Show InChI InChI=1S/C26H26N4O5S/c1-33-21-14-18(15-22(34-2)24(21)35-3)28-23(31)16-36-26-29-20-10-5-4-9-19(20)25(32)30(26)13-11-17-8-6-7-12-27-17/h4-10,12,14-15H,11,13,16H2,1-3H3,(H,28,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50180634
PNG
(CHEMBL3814371)
Show SMILES Fc1ccc(cc1)C(=O)CSc1nc2ccccc2c(=O)n1CCc1ccccn1
Show InChI InChI=1S/C23H18FN3O2S/c24-17-10-8-16(9-11-17)21(28)15-30-23-26-20-7-2-1-6-19(20)22(29)27(23)14-12-18-5-3-4-13-25-18/h1-11,13H,12,14-15H2
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n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair
Prostaglandin G/H synthase 1


(Ovis aries (Sheep))
BDBM50180631
PNG
(CHEMBL3813973)
Show SMILES COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2ccccn2)cc1
Show InChI InChI=1S/C24H22N4O3S/c1-31-19-11-9-18(10-12-19)26-22(29)16-32-24-27-21-8-3-2-7-20(21)23(30)28(24)15-13-17-6-4-5-14-25-17/h2-12,14H,13,15-16H2,1H3,(H,26,29)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



King Saud University

Curated by ChEMBL


Assay Description
Inhibition of ovine COX1 using arachidonic acid as substrate preincubated for 5 mins followed by substrate addition by ELISA


Bioorg Med Chem 24: 3818-28 (2016)


Article DOI: 10.1016/j.bmc.2016.06.026
BindingDB Entry DOI: 10.7270/Q2QV3PDJ
More data for this
Ligand-Target Pair