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PubMed code 26088336

Compile data set for download or QSAR
Found 96 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 12


(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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6n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(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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25n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
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



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096133
PNG
(CHEMBL3593612)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
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4.00E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM45835
PNG
(3-(4-ethylphenyl)-1H-pyrazole-5-carboxylic acid | ...)
Show SMILES CCc1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C12H12N2O2/c1-2-8-3-5-9(6-4-8)10-7-11(12(15)16)14-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
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4.50E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096139
PNG
(CHEMBL3593607)
Show SMILES Cc1cc(C)c(C)c(-c2cc(n[nH]2)C(O)=O)c1C
Show InChI InChI=1S/C14H16N2O2/c1-7-5-8(2)10(4)13(9(7)3)11-6-12(14(17)18)16-15-11/h5-6H,1-4H3,(H,15,16)(H,17,18)
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5.00E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096141
PNG
(CHEMBL3593605)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C14H16N2O2/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(13(17)18)16-15-11/h4-8H,1-3H3,(H,15,16)(H,17,18)
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5.00E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096126
PNG
(CHEMBL3593604)
Show SMILES CCCCc1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C14H16N2O2/c1-2-3-4-10-5-7-11(8-6-10)12-9-13(14(17)18)16-15-12/h5-9H,2-4H2,1H3,(H,15,16)(H,17,18)
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5.50E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096134
PNG
(CHEMBL347000)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,15,16)(H,17,18)
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5.50E+3n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096137
PNG
(CHEMBL3593609)
Show SMILES CC(C)c1ccc(-c2cc(n[nH]2)C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H20N2O2/c1-9(2)11-5-6-12(13(7-11)10(3)4)14-8-15(16(19)20)18-17-14/h5-10H,1-4H3,(H,17,18)(H,19,20)
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1.60E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096141
PNG
(CHEMBL3593605)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C14H16N2O2/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(13(17)18)16-15-11/h4-8H,1-3H3,(H,15,16)(H,17,18)
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2.10E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096127
PNG
(CHEMBL3593801)
Show SMILES COc1cc(C)c(cc1C)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-7-5-12(18-3)8(2)4-9(7)10-6-11(13(16)17)15-14-10/h4-6H,1-3H3,(H,14,15)(H,16,17)
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2.25E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096140
PNG
(CHEMBL3593606)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C13H14N2O2/c1-7-4-9(3)10(5-8(7)2)11-6-12(13(16)17)15-14-11/h4-6H,1-3H3,(H,14,15)(H,16,17)
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2.35E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096130
PNG
(CHEMBL3593799)
Show SMILES OC(=O)c1cc([nH]n1)-c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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2.35E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096132
PNG
(CHEMBL3593613)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C14H15N3O2/c18-14(19)13-9-12(15-16-13)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16)(H,18,19)
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3.35E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM45821
PNG
(3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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3.85E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096136
PNG
(CHEMBL3593610)
Show SMILES CC(C)c1cc(C(C)C)c(-c2cc(n[nH]2)C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H26N2O2/c1-10(2)13-7-14(11(3)4)18(15(8-13)12(5)6)16-9-17(19(22)23)21-20-16/h7-12H,1-6H3,(H,20,21)(H,22,23)
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3.90E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096126
PNG
(CHEMBL3593604)
Show SMILES CCCCc1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C14H16N2O2/c1-2-3-4-10-5-7-11(8-6-10)12-9-13(14(17)18)16-15-12/h5-9H,2-4H2,1H3,(H,15,16)(H,17,18)
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3.90E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096136
PNG
(CHEMBL3593610)
Show SMILES CC(C)c1cc(C(C)C)c(-c2cc(n[nH]2)C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H26N2O2/c1-10(2)13-7-14(11(3)4)18(15(8-13)12(5)6)16-9-17(19(22)23)21-20-16/h7-12H,1-6H3,(H,20,21)(H,22,23)
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3.90E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM45862
PNG
(5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-pyrazolin...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(O)cc1
Show InChI InChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
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4.10E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM45835
PNG
(3-(4-ethylphenyl)-1H-pyrazole-5-carboxylic acid | ...)
Show SMILES CCc1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C12H12N2O2/c1-2-8-3-5-9(6-4-8)10-7-11(12(15)16)14-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
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4.20E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096135
PNG
(CHEMBL3593611)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2CCCCc2c1
Show InChI InChI=1S/C14H14N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,15,16)(H,17,18)
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4.35E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM45837
PNG
(3-(2,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...)
Show SMILES Cc1ccc(-c2cc([nH]n2)C(O)=O)c(C)c1
Show InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(8(2)5-7)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
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4.50E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM45838
PNG
(3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...)
Show SMILES Cc1ccc(cc1C)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(5-8(7)2)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
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4.80E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096128
PNG
(CHEMBL1532040)
Show SMILES COc1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
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4.95E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50132133
PNG
(5-p-Tolyl-1H-pyrazole-3-carboxylic acid | CHEMBL34...)
Show SMILES Cc1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM45821
PNG
(3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM45835
PNG
(3-(4-ethylphenyl)-1H-pyrazole-5-carboxylic acid | ...)
Show SMILES CCc1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C12H12N2O2/c1-2-8-3-5-9(6-4-8)10-7-11(12(15)16)14-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096129
PNG
(CHEMBL3593800)
Show SMILES COc1ccccc1-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-7(10)8-6-9(11(14)15)13-12-8/h2-6H,1H3,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50132133
PNG
(5-p-Tolyl-1H-pyrazole-3-carboxylic acid | CHEMBL34...)
Show SMILES Cc1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM45862
PNG
(5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-pyrazolin...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(O)cc1
Show InChI InChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50132133
PNG
(5-p-Tolyl-1H-pyrazole-3-carboxylic acid | CHEMBL34...)
Show SMILES Cc1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM45838
PNG
(3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...)
Show SMILES Cc1ccc(cc1C)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(5-8(7)2)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM45835
PNG
(3-(4-ethylphenyl)-1H-pyrazole-5-carboxylic acid | ...)
Show SMILES CCc1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C12H12N2O2/c1-2-8-3-5-9(6-4-8)10-7-11(12(15)16)14-13-10/h3-7H,2H2,1H3,(H,13,14)(H,15,16)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096134
PNG
(CHEMBL347000)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,15,16)(H,17,18)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096141
PNG
(CHEMBL3593605)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C14H16N2O2/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(13(17)18)16-15-11/h4-8H,1-3H3,(H,15,16)(H,17,18)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096140
PNG
(CHEMBL3593606)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C13H14N2O2/c1-7-4-9(3)10(5-8(7)2)11-6-12(13(16)17)15-14-11/h4-6H,1-3H3,(H,14,15)(H,16,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096134
PNG
(CHEMBL347000)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,15,16)(H,17,18)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096132
PNG
(CHEMBL3593613)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C14H15N3O2/c18-14(19)13-9-12(15-16-13)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16)(H,18,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM45862
PNG
(5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-pyrazolin...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(O)cc1
Show InChI InChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096132
PNG
(CHEMBL3593613)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C14H15N3O2/c18-14(19)13-9-12(15-16-13)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16)(H,18,19)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096133
PNG
(CHEMBL3593612)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096140
PNG
(CHEMBL3593606)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C13H14N2O2/c1-7-4-9(3)10(5-8(7)2)11-6-12(13(16)17)15-14-11/h4-6H,1-3H3,(H,14,15)(H,16,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096133
PNG
(CHEMBL3593612)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM45837
PNG
(3-(2,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...)
Show SMILES Cc1ccc(-c2cc([nH]n2)C(O)=O)c(C)c1
Show InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(8(2)5-7)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096138
PNG
(CHEMBL3593608)
Show SMILES CCc1cc(CC)c(-c2cc(n[nH]2)C(O)=O)c(CC)c1
Show InChI InChI=1S/C16H20N2O2/c1-4-10-7-11(5-2)15(12(6-3)8-10)13-9-14(16(19)20)18-17-13/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096132
PNG
(CHEMBL3593613)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(cc1)N1CCCC1
Show InChI InChI=1S/C14H15N3O2/c18-14(19)13-9-12(15-16-13)10-3-5-11(6-4-10)17-7-1-2-8-17/h3-6,9H,1-2,7-8H2,(H,15,16)(H,18,19)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096136
PNG
(CHEMBL3593610)
Show SMILES CC(C)c1cc(C(C)C)c(-c2cc(n[nH]2)C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H26N2O2/c1-10(2)13-7-14(11(3)4)18(15(8-13)12(5)6)16-9-17(19(22)23)21-20-16/h7-12H,1-6H3,(H,20,21)(H,22,23)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM45837
PNG
(3-(2,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...)
Show SMILES Cc1ccc(-c2cc([nH]n2)C(O)=O)c(C)c1
Show InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(8(2)5-7)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096126
PNG
(CHEMBL3593604)
Show SMILES CCCCc1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C14H16N2O2/c1-2-3-4-10-5-7-11(8-6-10)12-9-13(14(17)18)16-15-12/h5-9H,2-4H2,1H3,(H,15,16)(H,17,18)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50132133
PNG
(5-p-Tolyl-1H-pyrazole-3-carboxylic acid | CHEMBL34...)
Show SMILES Cc1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C11H10N2O2/c1-7-2-4-8(5-3-7)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096139
PNG
(CHEMBL3593607)
Show SMILES Cc1cc(C)c(C)c(-c2cc(n[nH]2)C(O)=O)c1C
Show InChI InChI=1S/C14H16N2O2/c1-7-5-8(2)10(4)13(9(7)3)11-6-12(14(17)18)16-15-11/h5-6H,1-4H3,(H,15,16)(H,17,18)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM45821
PNG
(3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096130
PNG
(CHEMBL3593799)
Show SMILES OC(=O)c1cc([nH]n1)-c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096128
PNG
(CHEMBL1532040)
Show SMILES COc1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM45816
PNG
(3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic a...)
Show SMILES CC(C)c1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C13H14N2O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096135
PNG
(CHEMBL3593611)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2CCCCc2c1
Show InChI InChI=1S/C14H14N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,15,16)(H,17,18)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096133
PNG
(CHEMBL3593612)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C16H12N2O2/c19-16(20)15-10-14(17-18-15)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10H,(H,17,18)(H,19,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096127
PNG
(CHEMBL3593801)
Show SMILES COc1cc(C)c(cc1C)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-7-5-12(18-3)8(2)4-9(7)10-6-11(13(16)17)15-14-10/h4-6H,1-3H3,(H,14,15)(H,16,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096135
PNG
(CHEMBL3593611)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2CCCCc2c1
Show InChI InChI=1S/C14H14N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,15,16)(H,17,18)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096139
PNG
(CHEMBL3593607)
Show SMILES Cc1cc(C)c(C)c(-c2cc(n[nH]2)C(O)=O)c1C
Show InChI InChI=1S/C14H16N2O2/c1-7-5-8(2)10(4)13(9(7)3)11-6-12(14(17)18)16-15-11/h5-6H,1-4H3,(H,15,16)(H,17,18)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM45816
PNG
(3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic a...)
Show SMILES CC(C)c1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C13H14N2O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096136
PNG
(CHEMBL3593610)
Show SMILES CC(C)c1cc(C(C)C)c(-c2cc(n[nH]2)C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C19H26N2O2/c1-10(2)13-7-14(11(3)4)18(15(8-13)12(5)6)16-9-17(19(22)23)21-20-16/h7-12H,1-6H3,(H,20,21)(H,22,23)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096135
PNG
(CHEMBL3593611)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2CCCCc2c1
Show InChI InChI=1S/C14H14N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h5-8H,1-4H2,(H,15,16)(H,17,18)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096131
PNG
(CHEMBL129261)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096128
PNG
(CHEMBL1532040)
Show SMILES COc1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096130
PNG
(CHEMBL3593799)
Show SMILES OC(=O)c1cc([nH]n1)-c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096131
PNG
(CHEMBL129261)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM45838
PNG
(3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...)
Show SMILES Cc1ccc(cc1C)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(5-8(7)2)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM45837
PNG
(3-(2,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...)
Show SMILES Cc1ccc(-c2cc([nH]n2)C(O)=O)c(C)c1
Show InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(8(2)5-7)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096127
PNG
(CHEMBL3593801)
Show SMILES COc1cc(C)c(cc1C)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-7-5-12(18-3)8(2)4-9(7)10-6-11(13(16)17)15-14-10/h4-6H,1-3H3,(H,14,15)(H,16,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096129
PNG
(CHEMBL3593800)
Show SMILES COc1ccccc1-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-7(10)8-6-9(11(14)15)13-12-8/h2-6H,1H3,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM45816
PNG
(3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic a...)
Show SMILES CC(C)c1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C13H14N2O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096137
PNG
(CHEMBL3593609)
Show SMILES CC(C)c1ccc(-c2cc(n[nH]2)C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H20N2O2/c1-9(2)11-5-6-12(13(7-11)10(3)4)14-8-15(16(19)20)18-17-14/h5-10H,1-4H3,(H,17,18)(H,19,20)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096131
PNG
(CHEMBL129261)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096130
PNG
(CHEMBL3593799)
Show SMILES OC(=O)c1cc([nH]n1)-c1cccc(Br)c1
Show InChI InChI=1S/C10H7BrN2O2/c11-7-3-1-2-6(4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096128
PNG
(CHEMBL1532040)
Show SMILES COc1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C11H10N2O3/c1-16-8-4-2-7(3-5-8)9-6-10(11(14)15)13-12-9/h2-6H,1H3,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096129
PNG
(CHEMBL3593800)
Show SMILES COc1ccccc1-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-7(10)8-6-9(11(14)15)13-12-8/h2-6H,1H3,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM45862
PNG
(5-(4-ketocyclohexa-2,5-dien-1-ylidene)-3-pyrazolin...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(O)cc1
Show InChI InChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)8-5-9(10(14)15)12-11-8/h1-5,13H,(H,11,12)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096137
PNG
(CHEMBL3593609)
Show SMILES CC(C)c1ccc(-c2cc(n[nH]2)C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H20N2O2/c1-9(2)11-5-6-12(13(7-11)10(3)4)14-8-15(16(19)20)18-17-14/h5-10H,1-4H3,(H,17,18)(H,19,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096137
PNG
(CHEMBL3593609)
Show SMILES CC(C)c1ccc(-c2cc(n[nH]2)C(O)=O)c(c1)C(C)C
Show InChI InChI=1S/C16H20N2O2/c1-9(2)11-5-6-12(13(7-11)10(3)4)14-8-15(16(19)20)18-17-14/h5-10H,1-4H3,(H,17,18)(H,19,20)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096134
PNG
(CHEMBL347000)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc2ccccc2c1
Show InChI InChI=1S/C14H10N2O2/c17-14(18)13-8-12(15-16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H,(H,15,16)(H,17,18)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096131
PNG
(CHEMBL129261)
Show SMILES OC(=O)c1cc([nH]n1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C10H7ClN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096140
PNG
(CHEMBL3593606)
Show SMILES Cc1cc(C)c(cc1C)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C13H14N2O2/c1-7-4-9(3)10(5-8(7)2)11-6-12(13(16)17)15-14-11/h4-6H,1-3H3,(H,14,15)(H,16,17)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096139
PNG
(CHEMBL3593607)
Show SMILES Cc1cc(C)c(C)c(-c2cc(n[nH]2)C(O)=O)c1C
Show InChI InChI=1S/C14H16N2O2/c1-7-5-8(2)10(4)13(9(7)3)11-6-12(14(17)18)16-15-11/h5-6H,1-4H3,(H,15,16)(H,17,18)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096126
PNG
(CHEMBL3593604)
Show SMILES CCCCc1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C14H16N2O2/c1-2-3-4-10-5-7-11(8-6-10)12-9-13(14(17)18)16-15-12/h5-9H,2-4H2,1H3,(H,15,16)(H,17,18)
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University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM45816
PNG
(3-(4-propan-2-ylphenyl)-1H-pyrazole-5-carboxylic a...)
Show SMILES CC(C)c1ccc(cc1)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C13H14N2O2/c1-8(2)9-3-5-10(6-4-9)11-7-12(13(16)17)15-14-11/h3-8H,1-2H3,(H,14,15)(H,16,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096127
PNG
(CHEMBL3593801)
Show SMILES COc1cc(C)c(cc1C)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C13H14N2O3/c1-7-5-12(18-3)8(2)4-9(7)10-6-11(13(16)17)15-14-10/h4-6H,1-3H3,(H,14,15)(H,16,17)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096138
PNG
(CHEMBL3593608)
Show SMILES CCc1cc(CC)c(-c2cc(n[nH]2)C(O)=O)c(CC)c1
Show InChI InChI=1S/C16H20N2O2/c1-4-10-7-11(5-2)15(12(6-3)8-10)13-9-14(16(19)20)18-17-13/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50096141
PNG
(CHEMBL3593605)
Show SMILES CC(C)(C)c1ccc(cc1)-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C14H16N2O2/c1-14(2,3)10-6-4-9(5-7-10)11-8-12(13(17)18)16-15-11/h4-8H,1-3H3,(H,15,16)(H,17,18)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM45838
PNG
(3-(3,4-dimethylphenyl)-1H-pyrazole-5-carboxylic ac...)
Show SMILES Cc1ccc(cc1C)-c1cc([nH]n1)C(O)=O
Show InChI InChI=1S/C12H12N2O2/c1-7-3-4-9(5-8(7)2)10-6-11(12(15)16)14-13-10/h3-6H,1-2H3,(H,13,14)(H,15,16)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50096138
PNG
(CHEMBL3593608)
Show SMILES CCc1cc(CC)c(-c2cc(n[nH]2)C(O)=O)c(CC)c1
Show InChI InChI=1S/C16H20N2O2/c1-4-10-7-11(5-2)15(12(6-3)8-10)13-9-14(16(19)20)18-17-13/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50096138
PNG
(CHEMBL3593608)
Show SMILES CCc1cc(CC)c(-c2cc(n[nH]2)C(O)=O)c(CC)c1
Show InChI InChI=1S/C16H20N2O2/c1-4-10-7-11(5-2)15(12(6-3)8-10)13-9-14(16(19)20)18-17-13/h7-9H,4-6H2,1-3H3,(H,17,18)(H,19,20)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM45821
PNG
(3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid |...)
Show SMILES OC(=O)c1cc(n[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-5-9(10(14)15)13-12-8/h1-5H,(H,12,13)(H,14,15)
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>5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50096129
PNG
(CHEMBL3593800)
Show SMILES COc1ccccc1-c1cc(n[nH]1)C(O)=O
Show InChI InChI=1S/C11H10N2O3/c1-16-10-5-3-2-4-7(10)8-6-9(11(14)15)13-12-8/h2-6H,1H3,(H,12,13)(H,14,15)
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5.00E+4n/an/an/an/an/an/an/an/a



University of Belgrade

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method


Bioorg Med Chem 23: 4649-59 (2015)


Article DOI: 10.1016/j.bmc.2015.05.052
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%