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Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 8268   
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 1


(Homo sapiens (Human))
BDBM238307
PNG
([NiL2(H2O)2] (3))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Ni]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Ni/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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81n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238306
PNG
([CoL2(H2O)2].2H2O (2))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Co]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Co/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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145n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238307
PNG
([NiL2(H2O)2] (3))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Ni]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Ni/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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175n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238306
PNG
([CoL2(H2O)2].2H2O (2))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Co]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Co/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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280n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238308
PNG
([CuL2(H2O)2].H2O (4))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Cu]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Cu/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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316n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238308
PNG
([CuL2(H2O)2].H2O (4))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Cu]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Cu/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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325n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238305
PNG
(N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-4-benz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)[N+]([O-])=O)s1
Show InChI InChI=1S/C25H17N7O6S2/c26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36/h1-14H,(H2,26,37,38)(H,27,28,34)
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1.40E+3n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
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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2.10E+3n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
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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2.80E+3n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238305
PNG
(N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-4-benz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)[N+]([O-])=O)s1
Show InChI InChI=1S/C25H17N7O6S2/c26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36/h1-14H,(H2,26,37,38)(H,27,28,34)
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3.00E+3n/an/an/an/an/an/an/an/a



Dumlupinar University



Assay Description
The method for determination of Ki values is described elsewhere [Landolfi et al., J. Pharmacol. Toxicol. Methods, 38:169-172; Bülbül et al., J. Enzy...


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238306
PNG
([CoL2(H2O)2].2H2O (2))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Co]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Co/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 13n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238307
PNG
([NiL2(H2O)2] (3))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Ni]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Ni/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 62.5n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238307
PNG
([NiL2(H2O)2] (3))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Ni]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Ni/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 75n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238306
PNG
([CoL2(H2O)2].2H2O (2))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Co]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Co/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 100n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238307
PNG
([NiL2(H2O)2] (3))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Ni]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Ni/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 125n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238307
PNG
([NiL2(H2O)2] (3))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Ni]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Ni/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 170n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238308
PNG
([CuL2(H2O)2].H2O (4))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Cu]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Cu/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 190n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238306
PNG
([CoL2(H2O)2].2H2O (2))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Co]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Co/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 250n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238308
PNG
([CuL2(H2O)2].H2O (4))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Cu]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Cu/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 260n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238308
PNG
([CuL2(H2O)2].H2O (4))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Cu]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Cu/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 280n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238305
PNG
(N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-4-benz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)[N+]([O-])=O)s1
Show InChI InChI=1S/C25H17N7O6S2/c26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36/h1-14H,(H2,26,37,38)(H,27,28,34)
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n/an/a 400n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238306
PNG
([CoL2(H2O)2].2H2O (2))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Co]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Co/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 490n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238305
PNG
(N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-4-benz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)[N+]([O-])=O)s1
Show InChI InChI=1S/C25H17N7O6S2/c26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36/h1-14H,(H2,26,37,38)(H,27,28,34)
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n/an/a 1.20E+3n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM238305
PNG
(N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-4-benz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)[N+]([O-])=O)s1
Show InChI InChI=1S/C25H17N7O6S2/c26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36/h1-14H,(H2,26,37,38)(H,27,28,34)
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n/an/a 1.40E+3n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238308
PNG
([CuL2(H2O)2].H2O (4))
Show SMILES NS(=O)(=O)c1nnc(s1)N1C(=O)C2=[N](N(C(=C2C(=O)c2ccccc2)c2ccccc2)c2cccc(c2)[N+]([O-])=O)[Cu]11N(C(=O)C2=[N]1N(C(=C2C(=O)c1ccccc1)c1ccccc1)c1cccc(c1)[N+]([O-])=O)c1nnc(s1)S(N)(=O)=O |c:16,50,54,t:13|
Show InChI InChI=1S/2C25H17N7O6S2.Cu/c2*26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36;/h2*1-14H,(H3,26,27,28,34,37,38);/q;;+2/p-2
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n/an/a 2.20E+3n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
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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n/an/a 2.40E+3n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM238305
PNG
(N-[5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl]-4-benz...)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)c2nn(c(c2C(=O)c2ccccc2)-c2ccccc2)-c2cccc(c2)[N+]([O-])=O)s1
Show InChI InChI=1S/C25H17N7O6S2/c26-40(37,38)25-29-28-24(39-25)27-23(34)20-19(22(33)16-10-5-2-6-11-16)21(15-8-3-1-4-9-15)31(30-20)17-12-7-13-18(14-17)32(35)36/h1-14H,(H2,26,37,38)(H,27,28,34)
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n/an/a 3.00E+3n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
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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n/an/a 3.30E+3n/an/an/an/an/an/a



Dumlupinar University



Assay Description
Carbonic anhydrase activity was assayed by following the hydration of CO2 according to the method described by Wilbur and Anderson [Wilbur et al., J....


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
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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n/an/a 3.90E+3n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
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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PubMed
n/an/a 4.60E+3n/an/an/an/a7.4n/a



Dumlupinar University



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


J Enzyme Inhib Med Chem 28: 311-5 (2013)


Article DOI: 10.3109/14756366.2012.712516
BindingDB Entry DOI: 10.7270/Q2QN65NJ
More data for this
Ligand-Target Pair