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PubMed code 27876475

Compile data set for download or QSAR
Found 68 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Carbonic anhydrase 7


(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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 2.5n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205571
PNG
(CHEMBL3967103)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2cccc(c2)-c2nnn[nH]2)C(=O)CCC3)cc1 |c:19,22|
Show InChI InChI=1S/C33H29N7O5S/c34-46(44,45)24-16-12-22(13-17-24)35-33(43)19-10-14-23(15-11-19)40-25-6-2-8-27(41)30(25)29(31-26(40)7-3-9-28(31)42)20-4-1-5-21(18-20)32-36-38-39-37-32/h1,4-5,10-18,29H,2-3,6-9H2,(H,35,43)(H2,34,44,45)(H,36,37,38,39)
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 3.80n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205568
PNG
(CHEMBL3937384)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C37H37N7O5S/c1-36(2)17-27-32(29(45)19-36)31(22-6-5-7-23(16-22)34-40-42-43-41-34)33-28(18-37(3,4)20-30(33)46)44(27)25-12-8-21(9-13-25)35(47)39-24-10-14-26(15-11-24)50(38,48)49/h5-16,31H,17-20H2,1-4H3,(H,39,47)(H2,38,48,49)(H,40,41,42,43)
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 4.10n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
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



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205563
PNG
(CHEMBL3969810)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-5-7-18(8-6-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-9-11-20(12-10-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)
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 45n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205571
PNG
(CHEMBL3967103)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2cccc(c2)-c2nnn[nH]2)C(=O)CCC3)cc1 |c:19,22|
Show InChI InChI=1S/C33H29N7O5S/c34-46(44,45)24-16-12-22(13-17-24)35-33(43)19-10-14-23(15-11-19)40-25-6-2-8-27(41)30(25)29(31-26(40)7-3-9-28(31)42)20-4-1-5-21(18-20)32-36-38-39-37-32/h1,4-5,10-18,29H,2-3,6-9H2,(H,35,43)(H2,34,44,45)(H,36,37,38,39)
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 49n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205595
PNG
(CHEMBL3955992)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1cccc(c1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15|
Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-12-10-17(11-13-18)32-19-6-2-8-21(33)24(19)23(25-20(32)7-3-9-22(25)34)15-4-1-5-16(14-15)26-28-30-31-29-26/h1,4-5,10-14,23H,2-3,6-9H2,(H2,27,35,36)(H,28,29,30,31)
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 49n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205569
PNG
(CHEMBL3928382)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1ccc(cc1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15|
Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-13-11-17(12-14-18)32-19-3-1-5-21(33)24(19)23(25-20(32)4-2-6-22(25)34)15-7-9-16(10-8-15)26-28-30-31-29-26/h7-14,23H,1-6H2,(H2,27,35,36)(H,28,29,30,31)
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 52n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205571
PNG
(CHEMBL3967103)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2cccc(c2)-c2nnn[nH]2)C(=O)CCC3)cc1 |c:19,22|
Show InChI InChI=1S/C33H29N7O5S/c34-46(44,45)24-16-12-22(13-17-24)35-33(43)19-10-14-23(15-11-19)40-25-6-2-8-27(41)30(25)29(31-26(40)7-3-9-28(31)42)20-4-1-5-21(18-20)32-36-38-39-37-32/h1,4-5,10-18,29H,2-3,6-9H2,(H,35,43)(H2,34,44,45)(H,36,37,38,39)
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 60n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205568
PNG
(CHEMBL3937384)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C37H37N7O5S/c1-36(2)17-27-32(29(45)19-36)31(22-6-5-7-23(16-22)34-40-42-43-41-34)33-28(18-37(3,4)20-30(33)46)44(27)25-12-8-21(9-13-25)35(47)39-24-10-14-26(15-11-24)50(38,48)49/h5-16,31H,17-20H2,1-4H3,(H,39,47)(H2,38,48,49)(H,40,41,42,43)
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 62n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205568
PNG
(CHEMBL3937384)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C37H37N7O5S/c1-36(2)17-27-32(29(45)19-36)31(22-6-5-7-23(16-22)34-40-42-43-41-34)33-28(18-37(3,4)20-30(33)46)44(27)25-12-8-21(9-13-25)35(47)39-24-10-14-26(15-11-24)50(38,48)49/h5-16,31H,17-20H2,1-4H3,(H,39,47)(H2,38,48,49)(H,40,41,42,43)
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 64n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
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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 74n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
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



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205566
PNG
(CHEMBL3947267)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-6-5-7-18(12-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-8-10-20(11-9-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)
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 308n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205569
PNG
(CHEMBL3928382)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1ccc(cc1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15|
Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-13-11-17(12-14-18)32-19-3-1-5-21(33)24(19)23(25-20(32)4-2-6-22(25)34)15-7-9-16(10-8-15)26-28-30-31-29-26/h7-14,23H,1-6H2,(H2,27,35,36)(H,28,29,30,31)
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 476n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205595
PNG
(CHEMBL3955992)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1cccc(c1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15|
Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-12-10-17(11-13-18)32-19-6-2-8-21(33)24(19)23(25-20(32)7-3-9-22(25)34)15-4-1-5-16(14-15)26-28-30-31-29-26/h1,4-5,10-14,23H,2-3,6-9H2,(H2,27,35,36)(H,28,29,30,31)
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 495n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205566
PNG
(CHEMBL3947267)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-6-5-7-18(12-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-8-10-20(11-9-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)
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 662n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205595
PNG
(CHEMBL3955992)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1cccc(c1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15|
Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-12-10-17(11-13-18)32-19-6-2-8-21(33)24(19)23(25-20(32)7-3-9-22(25)34)15-4-1-5-16(14-15)26-28-30-31-29-26/h1,4-5,10-14,23H,2-3,6-9H2,(H2,27,35,36)(H,28,29,30,31)
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 683n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205569
PNG
(CHEMBL3928382)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1ccc(cc1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15|
Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-13-11-17(12-14-18)32-19-3-1-5-21(33)24(19)23(25-20(32)4-2-6-22(25)34)15-7-9-16(10-8-15)26-28-30-31-29-26/h7-14,23H,1-6H2,(H2,27,35,36)(H,28,29,30,31)
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 883n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205571
PNG
(CHEMBL3967103)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)c2ccc(cc2)N2C3=C(C(C4=C2CCCC4=O)c2cccc(c2)-c2nnn[nH]2)C(=O)CCC3)cc1 |c:19,22|
Show InChI InChI=1S/C33H29N7O5S/c34-46(44,45)24-16-12-22(13-17-24)35-33(43)19-10-14-23(15-11-19)40-25-6-2-8-27(41)30(25)29(31-26(40)7-3-9-28(31)42)20-4-1-5-21(18-20)32-36-38-39-37-32/h1,4-5,10-18,29H,2-3,6-9H2,(H,35,43)(H2,34,44,45)(H,36,37,38,39)
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 2.49E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205568
PNG
(CHEMBL3937384)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)C(=O)Nc1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C37H37N7O5S/c1-36(2)17-27-32(29(45)19-36)31(22-6-5-7-23(16-22)34-40-42-43-41-34)33-28(18-37(3,4)20-30(33)46)44(27)25-12-8-21(9-13-25)35(47)39-24-10-14-26(15-11-24)50(38,48)49/h5-16,31H,17-20H2,1-4H3,(H,39,47)(H2,38,48,49)(H,40,41,42,43)
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 2.79E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205563
PNG
(CHEMBL3969810)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-5-7-18(8-6-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-9-11-20(12-10-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)
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 3.69E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205595
PNG
(CHEMBL3955992)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1cccc(c1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15|
Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-12-10-17(11-13-18)32-19-6-2-8-21(33)24(19)23(25-20(32)7-3-9-22(25)34)15-4-1-5-16(14-15)26-28-30-31-29-26/h1,4-5,10-14,23H,2-3,6-9H2,(H2,27,35,36)(H,28,29,30,31)
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 6.06E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205563
PNG
(CHEMBL3969810)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-5-7-18(8-6-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-9-11-20(12-10-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)
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 6.81E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205563
PNG
(CHEMBL3969810)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-5-7-18(8-6-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-9-11-20(12-10-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)
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 7.30E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205569
PNG
(CHEMBL3928382)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1C2=C(C(C3=C1CCCC3=O)c1ccc(cc1)-c1nnn[nH]1)C(=O)CCC2 |c:12,15|
Show InChI InChI=1S/C26H24N6O4S/c27-37(35,36)18-13-11-17(12-14-18)32-19-3-1-5-21(33)24(19)23(25-20(32)4-2-6-22(25)34)15-7-9-16(10-8-15)26-28-30-31-29-26/h7-14,23H,1-6H2,(H2,27,35,36)(H,28,29,30,31)
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 7.35E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205566
PNG
(CHEMBL3947267)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-6-5-7-18(12-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-8-10-20(11-9-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)
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 8.49E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205566
PNG
(CHEMBL3947267)
Show SMILES CC1(C)CC(=O)C2=C(C1)N(C1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1)c1ccc(cc1)S(N)(=O)=O |c:6,11|
Show InChI InChI=1S/C30H32N6O4S/c1-29(2)13-21-26(23(37)15-29)25(17-6-5-7-18(12-17)28-32-34-35-33-28)27-22(14-30(3,4)16-24(27)38)36(21)19-8-10-20(11-9-19)41(31,39)40/h5-12,25H,13-16H2,1-4H3,(H2,31,39,40)(H,32,33,34,35)
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 9.52E+3n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205565
PNG
(CHEMBL3890627)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1 |c:6,11|
Show InChI InChI=1S/C24H26N4O3/c1-23(2)9-15(29)20-17(11-23)31-18-12-24(3,4)10-16(30)21(18)19(20)13-5-7-14(8-6-13)22-25-27-28-26-22/h5-8,19H,9-12H2,1-4H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205597
PNG
(CHEMBL3917590)
Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)O1)c1ccc(cc1)-c1nnn[nH]1 |c:1,t:6|
Show InChI InChI=1S/C17H14N6O2/c18-8-11-14(15-12(24)2-1-3-13(15)25-16(11)19)9-4-6-10(7-5-9)17-20-22-23-21-17/h4-7,14H,1-3,19H2,(H,20,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205564
PNG
(CHEMBL3908650)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc(cc1)-c1nnn[nH]1 |c:6,t:12|
Show InChI InChI=1S/C19H18N6O2/c1-19(2)7-13(26)16-14(8-19)27-17(21)12(9-20)15(16)10-3-5-11(6-4-10)18-22-24-25-23-18/h3-6,15H,7-8,21H2,1-2H3,(H,22,23,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205574
PNG
(CHEMBL3950179)
Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1ccc(cc1)-c1nnn[nH]1 |c:5,t:9|
Show InChI InChI=1S/C20H18N4O3/c25-13-3-1-5-15-18(13)17(19-14(26)4-2-6-16(19)27-15)11-7-9-12(10-8-11)20-21-23-24-22-20/h7-10,17H,1-6H2,(H,21,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205572
PNG
(CHEMBL3979000)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccc(c1)-c1nnn[nH]1 |c:6,t:12|
Show InChI InChI=1S/C19H18N6O2/c1-19(2)7-13(26)16-14(8-19)27-17(21)12(9-20)15(16)10-4-3-5-11(6-10)18-22-24-25-23-18/h3-6,15H,7-8,21H2,1-2H3,(H,22,23,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205567
PNG
(CHEMBL3910545)
Show SMILES O=Cc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205598
PNG
(CHEMBL3959700)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1 |c:6,11|
Show InChI InChI=1S/C24H26N4O3/c1-23(2)9-15(29)20-17(11-23)31-18-12-24(3,4)10-16(30)21(18)19(20)13-6-5-7-14(8-13)22-25-27-28-26-22/h5-8,19H,9-12H2,1-4H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205573
PNG
(CHEMBL3938481)
Show SMILES O=Cc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C8H6N4O/c13-5-6-2-1-3-7(4-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205570
PNG
(CHEMBL3970750)
Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1cccc(c1)-c1nnn[nH]1 |c:5,t:9|
Show InChI InChI=1S/C20H18N4O3/c25-13-6-2-8-15-18(13)17(19-14(26)7-3-9-16(19)27-15)11-4-1-5-12(10-11)20-21-23-24-22-20/h1,4-5,10,17H,2-3,6-9H2,(H,21,22,23,24)
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Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205564
PNG
(CHEMBL3908650)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc(cc1)-c1nnn[nH]1 |c:6,t:12|
Show InChI InChI=1S/C19H18N6O2/c1-19(2)7-13(26)16-14(8-19)27-17(21)12(9-20)15(16)10-3-5-11(6-4-10)18-22-24-25-23-18/h3-6,15H,7-8,21H2,1-2H3,(H,22,23,24,25)
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Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205573
PNG
(CHEMBL3938481)
Show SMILES O=Cc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C8H6N4O/c13-5-6-2-1-3-7(4-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205570
PNG
(CHEMBL3970750)
Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1cccc(c1)-c1nnn[nH]1 |c:5,t:9|
Show InChI InChI=1S/C20H18N4O3/c25-13-6-2-8-15-18(13)17(19-14(26)7-3-9-16(19)27-15)11-4-1-5-12(10-11)20-21-23-24-22-20/h1,4-5,10,17H,2-3,6-9H2,(H,21,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205573
PNG
(CHEMBL3938481)
Show SMILES O=Cc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C8H6N4O/c13-5-6-2-1-3-7(4-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
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Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205564
PNG
(CHEMBL3908650)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc(cc1)-c1nnn[nH]1 |c:6,t:12|
Show InChI InChI=1S/C19H18N6O2/c1-19(2)7-13(26)16-14(8-19)27-17(21)12(9-20)15(16)10-3-5-11(6-4-10)18-22-24-25-23-18/h3-6,15H,7-8,21H2,1-2H3,(H,22,23,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205573
PNG
(CHEMBL3938481)
Show SMILES O=Cc1cccc(c1)-c1nnn[nH]1
Show InChI InChI=1S/C8H6N4O/c13-5-6-2-1-3-7(4-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205596
PNG
(CHEMBL3889560)
Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)O1)c1cccc(c1)-c1nnn[nH]1 |c:1,t:6|
Show InChI InChI=1S/C17H14N6O2/c18-8-11-14(15-12(24)5-2-6-13(15)25-16(11)19)9-3-1-4-10(7-9)17-20-22-23-21-17/h1,3-4,7,14H,2,5-6,19H2,(H,20,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205572
PNG
(CHEMBL3979000)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccc(c1)-c1nnn[nH]1 |c:6,t:12|
Show InChI InChI=1S/C19H18N6O2/c1-19(2)7-13(26)16-14(8-19)27-17(21)12(9-20)15(16)10-4-3-5-11(6-10)18-22-24-25-23-18/h3-6,15H,7-8,21H2,1-2H3,(H,22,23,24,25)
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Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205597
PNG
(CHEMBL3917590)
Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)O1)c1ccc(cc1)-c1nnn[nH]1 |c:1,t:6|
Show InChI InChI=1S/C17H14N6O2/c18-8-11-14(15-12(24)2-1-3-13(15)25-16(11)19)9-4-6-10(7-5-9)17-20-22-23-21-17/h4-7,14H,1-3,19H2,(H,20,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205596
PNG
(CHEMBL3889560)
Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)O1)c1cccc(c1)-c1nnn[nH]1 |c:1,t:6|
Show InChI InChI=1S/C17H14N6O2/c18-8-11-14(15-12(24)5-2-6-13(15)25-16(11)19)9-3-1-4-10(7-9)17-20-22-23-21-17/h1,3-4,7,14H,2,5-6,19H2,(H,20,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205570
PNG
(CHEMBL3970750)
Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1cccc(c1)-c1nnn[nH]1 |c:5,t:9|
Show InChI InChI=1S/C20H18N4O3/c25-13-6-2-8-15-18(13)17(19-14(26)7-3-9-16(19)27-15)11-4-1-5-12(10-11)20-21-23-24-22-20/h1,4-5,10,17H,2-3,6-9H2,(H,21,22,23,24)
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Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205572
PNG
(CHEMBL3979000)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccc(c1)-c1nnn[nH]1 |c:6,t:12|
Show InChI InChI=1S/C19H18N6O2/c1-19(2)7-13(26)16-14(8-19)27-17(21)12(9-20)15(16)10-4-3-5-11(6-10)18-22-24-25-23-18/h3-6,15H,7-8,21H2,1-2H3,(H,22,23,24,25)
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Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205596
PNG
(CHEMBL3889560)
Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)O1)c1cccc(c1)-c1nnn[nH]1 |c:1,t:6|
Show InChI InChI=1S/C17H14N6O2/c18-8-11-14(15-12(24)5-2-6-13(15)25-16(11)19)9-3-1-4-10(7-9)17-20-22-23-21-17/h1,3-4,7,14H,2,5-6,19H2,(H,20,21,22,23)
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Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205574
PNG
(CHEMBL3950179)
Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1ccc(cc1)-c1nnn[nH]1 |c:5,t:9|
Show InChI InChI=1S/C20H18N4O3/c25-13-3-1-5-15-18(13)17(19-14(26)4-2-6-16(19)27-15)11-7-9-12(10-8-11)20-21-23-24-22-20/h7-10,17H,1-6H2,(H,21,22,23,24)
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Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205567
PNG
(CHEMBL3910545)
Show SMILES O=Cc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205598
PNG
(CHEMBL3959700)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1 |c:6,11|
Show InChI InChI=1S/C24H26N4O3/c1-23(2)9-15(29)20-17(11-23)31-18-12-24(3,4)10-16(30)21(18)19(20)13-6-5-7-14(8-13)22-25-27-28-26-22/h5-8,19H,9-12H2,1-4H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205565
PNG
(CHEMBL3890627)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1 |c:6,11|
Show InChI InChI=1S/C24H26N4O3/c1-23(2)9-15(29)20-17(11-23)31-18-12-24(3,4)10-16(30)21(18)19(20)13-5-7-14(8-6-13)22-25-27-28-26-22/h5-8,19H,9-12H2,1-4H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205574
PNG
(CHEMBL3950179)
Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1ccc(cc1)-c1nnn[nH]1 |c:5,t:9|
Show InChI InChI=1S/C20H18N4O3/c25-13-3-1-5-15-18(13)17(19-14(26)4-2-6-16(19)27-15)11-7-9-12(10-8-11)20-21-23-24-22-20/h7-10,17H,1-6H2,(H,21,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205598
PNG
(CHEMBL3959700)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1 |c:6,11|
Show InChI InChI=1S/C24H26N4O3/c1-23(2)9-15(29)20-17(11-23)31-18-12-24(3,4)10-16(30)21(18)19(20)13-6-5-7-14(8-13)22-25-27-28-26-22/h5-8,19H,9-12H2,1-4H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205596
PNG
(CHEMBL3889560)
Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)O1)c1cccc(c1)-c1nnn[nH]1 |c:1,t:6|
Show InChI InChI=1S/C17H14N6O2/c18-8-11-14(15-12(24)5-2-6-13(15)25-16(11)19)9-3-1-4-10(7-9)17-20-22-23-21-17/h1,3-4,7,14H,2,5-6,19H2,(H,20,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205565
PNG
(CHEMBL3890627)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1 |c:6,11|
Show InChI InChI=1S/C24H26N4O3/c1-23(2)9-15(29)20-17(11-23)31-18-12-24(3,4)10-16(30)21(18)19(20)13-5-7-14(8-6-13)22-25-27-28-26-22/h5-8,19H,9-12H2,1-4H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205570
PNG
(CHEMBL3970750)
Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1cccc(c1)-c1nnn[nH]1 |c:5,t:9|
Show InChI InChI=1S/C20H18N4O3/c25-13-6-2-8-15-18(13)17(19-14(26)7-3-9-16(19)27-15)11-4-1-5-12(10-11)20-21-23-24-22-20/h1,4-5,10,17H,2-3,6-9H2,(H,21,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205567
PNG
(CHEMBL3910545)
Show SMILES O=Cc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205565
PNG
(CHEMBL3890627)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2ccc(cc2)-c2nnn[nH]2)C(=O)CC(C)(C)C1 |c:6,11|
Show InChI InChI=1S/C24H26N4O3/c1-23(2)9-15(29)20-17(11-23)31-18-12-24(3,4)10-16(30)21(18)19(20)13-5-7-14(8-6-13)22-25-27-28-26-22/h5-8,19H,9-12H2,1-4H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))		BDBM50205564
PNG
(CHEMBL3908650)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1ccc(cc1)-c1nnn[nH]1 |c:6,t:12|
Show InChI InChI=1S/C19H18N6O2/c1-19(2)7-13(26)16-14(8-19)27-17(21)12(9-20)15(16)10-3-5-11(6-4-10)18-22-24-25-23-18/h3-6,15H,7-8,21H2,1-2H3,(H,22,23,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205598
PNG
(CHEMBL3959700)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC1=C(C2c2cccc(c2)-c2nnn[nH]2)C(=O)CC(C)(C)C1 |c:6,11|
Show InChI InChI=1S/C24H26N4O3/c1-23(2)9-15(29)20-17(11-23)31-18-12-24(3,4)10-16(30)21(18)19(20)13-6-5-7-14(8-13)22-25-27-28-26-22/h5-8,19H,9-12H2,1-4H3,(H,25,26,27,28)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205574
PNG
(CHEMBL3950179)
Show SMILES O=C1CCCC2=C1C(C1=C(CCCC1=O)O2)c1ccc(cc1)-c1nnn[nH]1 |c:5,t:9|
Show InChI InChI=1S/C20H18N4O3/c25-13-3-1-5-15-18(13)17(19-14(26)4-2-6-16(19)27-15)11-7-9-12(10-8-11)20-21-23-24-22-20/h7-10,17H,1-6H2,(H,21,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205597
PNG
(CHEMBL3917590)
Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)O1)c1ccc(cc1)-c1nnn[nH]1 |c:1,t:6|
Show InChI InChI=1S/C17H14N6O2/c18-8-11-14(15-12(24)2-1-3-13(15)25-16(11)19)9-4-6-10(7-5-9)17-20-22-23-21-17/h4-7,14H,1-3,19H2,(H,20,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))		BDBM50205597
PNG
(CHEMBL3917590)
Show SMILES NC1=C(C#N)C(C2=C(CCCC2=O)O1)c1ccc(cc1)-c1nnn[nH]1 |c:1,t:6|
Show InChI InChI=1S/C17H14N6O2/c18-8-11-14(15-12(24)2-1-3-13(15)25-16(11)19)9-4-6-10(7-5-9)17-20-22-23-21-17/h4-7,14H,1-3,19H2,(H,20,21,22,23)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 7 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))		BDBM50205567
PNG
(CHEMBL3910545)
Show SMILES O=Cc1ccc(cc1)-c1nnn[nH]1
Show InChI InChI=1S/C8H6N4O/c13-5-6-1-3-7(4-2-6)8-9-11-12-10-8/h1-5H,(H,9,10,11,12)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 4 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))		BDBM50205572
PNG
(CHEMBL3979000)
Show SMILES CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccc(c1)-c1nnn[nH]1 |c:6,t:12|
Show InChI InChI=1S/C19H18N6O2/c1-19(2)7-13(26)16-14(8-19)27-17(21)12(9-20)15(16)10-4-3-5-11(6-10)18-22-24-25-23-18/h3-6,15H,7-8,21H2,1-2H3,(H,22,23,24,25)
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>1.00E+4n/an/an/an/an/an/an/an/a



Dumlupinar University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli assessed as reduction in CO2 hydration preincubated for 15 mins pr...

Bioorg Med Chem Lett 27: 86-89 (2017)


Article DOI: 10.1016/j.bmcl.2016.11.028
BindingDB Entry DOI: 10.7270/Q25D8TT1
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%