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Compile Data Set for Download or QSAR

Found 84 hits Enz. Inhib. hit(s) with all data for entry = 50042485   
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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5n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426698
PNG
(CHEMBL2326518)
Show SMILES CCN(CC)Cc1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C15H18N4O3S/c1-3-18(4-2)10-13-11-19(17-16-13)14-5-6-15-12(9-14)7-8-23(20,21)22-15/h5-9,11H,3-4,10H2,1-2H3
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7n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426700
PNG
(CHEMBL2326516)
Show SMILES C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C13H15N3O3SSi/c1-21(2,3)13-9-16(15-14-13)11-4-5-12-10(8-11)6-7-20(17,18)19-12/h4-9H,1-3H3
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9n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
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



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426702
PNG
(CHEMBL2326514)
Show SMILES COC(=O)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C12H9N3O5S/c1-19-12(16)10-7-15(14-13-10)9-2-3-11-8(6-9)4-5-21(17,18)20-11/h2-7H,1H3
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12n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426695
PNG
(CHEMBL2326521)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C17H10F3N3O3S/c18-17(19,20)13-3-1-2-11(8-13)15-10-23(22-21-15)14-4-5-16-12(9-14)6-7-27(24,25)26-16/h1-10H
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13n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426701
PNG
(CHEMBL2326515)
Show SMILES CCOC(=O)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C13H11N3O5S/c1-2-20-13(17)11-8-16(15-14-11)10-3-4-12-9(7-10)5-6-22(18,19)21-12/h3-8H,2H2,1H3
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13n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426697
PNG
(CHEMBL2326519)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C17H10F3N3O4S/c18-17(19,20)26-14-4-1-11(2-5-14)15-10-23(22-21-15)13-3-6-16-12(9-13)7-8-28(24,25)27-16/h1-10H
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14n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426699
PNG
(CHEMBL2326517)
Show SMILES OCc1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C11H9N3O4S/c15-7-9-6-14(13-12-9)10-1-2-11-8(5-10)3-4-19(16,17)18-11/h1-6,15H,7H2
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16n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426696
PNG
(CHEMBL2326520)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C17H13N3O4S/c1-23-15-5-2-12(3-6-15)16-11-20(19-18-16)14-4-7-17-13(10-14)8-9-25(21,22)24-17/h2-11H,1H3
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18n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426694
PNG
(CHEMBL2326522)
Show SMILES COc1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C17H13N3O4S/c1-23-15-4-2-3-12(10-15)16-11-20(19-18-16)14-5-6-17-13(9-14)7-8-25(21,22)24-17/h2-11H,1H3
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21n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426705
PNG
(CHEMBL2326511)
Show SMILES Nc1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H7NO3S/c9-7-1-2-8-6(5-7)3-4-13(10,11)12-8/h1-5H,9H2
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23n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426698
PNG
(CHEMBL2326518)
Show SMILES CCN(CC)Cc1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C15H18N4O3S/c1-3-18(4-2)10-13-11-19(17-16-13)14-5-6-15-12(9-14)7-8-23(20,21)22-15/h5-9,11H,3-4,10H2,1-2H3
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25n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
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



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426703
PNG
(CHEMBL2326513)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C16H11N3O3S/c20-23(21)9-8-13-10-14(6-7-16(13)22-23)19-11-15(17-18-19)12-4-2-1-3-5-12/h1-11H
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29n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426703
PNG
(CHEMBL2326513)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C16H11N3O3S/c20-23(21)9-8-13-10-14(6-7-16(13)22-23)19-11-15(17-18-19)12-4-2-1-3-5-12/h1-11H
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32n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426696
PNG
(CHEMBL2326520)
Show SMILES COc1ccc(cc1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C17H13N3O4S/c1-23-15-5-2-12(3-6-15)16-11-20(19-18-16)14-4-7-17-13(10-14)8-9-25(21,22)24-17/h2-11H,1H3
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39n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426705
PNG
(CHEMBL2326511)
Show SMILES Nc1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H7NO3S/c9-7-1-2-8-6(5-7)3-4-13(10,11)12-8/h1-5H,9H2
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46n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426695
PNG
(CHEMBL2326521)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C17H10F3N3O3S/c18-17(19,20)13-3-1-2-11(8-13)15-10-23(22-21-15)14-4-5-16-12(9-14)6-7-27(24,25)26-16/h1-10H
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48n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426694
PNG
(CHEMBL2326522)
Show SMILES COc1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C17H13N3O4S/c1-23-15-4-2-3-12(10-15)16-11-20(19-18-16)14-5-6-17-13(9-14)7-8-25(21,22)24-17/h2-11H,1H3
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49n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426699
PNG
(CHEMBL2326517)
Show SMILES OCc1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C11H9N3O4S/c15-7-9-6-14(13-12-9)10-1-2-11-8(5-10)3-4-19(16,17)18-11/h1-6,15H,7H2
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58n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426700
PNG
(CHEMBL2326516)
Show SMILES C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C13H15N3O3SSi/c1-21(2,3)13-9-16(15-14-13)11-4-5-12-10(8-11)6-7-20(17,18)19-12/h4-9H,1-3H3
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60n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50300203
PNG
((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C
Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1
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62n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426697
PNG
(CHEMBL2326519)
Show SMILES FC(F)(F)Oc1ccc(cc1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C17H10F3N3O4S/c18-17(19,20)26-14-4-1-11(2-5-14)15-10-23(22-21-15)13-3-6-16-12(9-13)7-8-28(24,25)27-16/h1-10H
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74n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50300203
PNG
((S)-6-(1-hydroxy-3-methylbutyl)-7-methoxy-2H-chrom...)
Show SMILES COc1cc2oc(=O)ccc2cc1[C@@H](O)CC(C)C
Show InChI InChI=1S/C15H18O4/c1-9(2)6-12(16)11-7-10-4-5-15(17)19-13(10)8-14(11)18-3/h4-5,7-9,12,16H,6H2,1-3H3/t12-/m0/s1
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80n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426701
PNG
(CHEMBL2326515)
Show SMILES CCOC(=O)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C13H11N3O5S/c1-2-20-13(17)11-8-16(15-14-11)10-3-4-12-9(7-10)5-6-22(18,19)21-12/h3-8H,2H2,1H3
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86n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426709
PNG
(CHEMBL2326508)
Show SMILES O=S1(=O)Oc2ccc(OCc3ccccc3)cc2C=C1
Show InChI InChI=1S/C15H12O4S/c16-20(17)9-8-13-10-14(6-7-15(13)19-20)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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219n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426711
PNG
(CHEMBL2326506)
Show SMILES Oc1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H6O4S/c9-7-1-2-8-6(5-7)3-4-13(10,11)12-8/h1-5,9H
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234n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
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



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426710
PNG
(CHEMBL2326507)
Show SMILES COS(=O)(=O)c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C9H8O6S2/c1-14-17(12,13)8-2-3-9-7(6-8)4-5-16(10,11)15-9/h2-6H,1H3
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254n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426709
PNG
(CHEMBL2326508)
Show SMILES O=S1(=O)Oc2ccc(OCc3ccccc3)cc2C=C1
Show InChI InChI=1S/C15H12O4S/c16-20(17)9-8-13-10-14(6-7-15(13)19-20)18-11-12-4-2-1-3-5-12/h1-10H,11H2
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275n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426711
PNG
(CHEMBL2326506)
Show SMILES Oc1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H6O4S/c9-7-1-2-8-6(5-7)3-4-13(10,11)12-8/h1-5,9H
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300n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426710
PNG
(CHEMBL2326507)
Show SMILES COS(=O)(=O)c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C9H8O6S2/c1-14-17(12,13)8-2-3-9-7(6-8)4-5-16(10,11)15-9/h2-6H,1H3
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324n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426708
PNG
(CHEMBL2326509 | Naphtho[1,2-E][1,2]Oxathiine 3,3-D...)
Show SMILES O=S1(=O)Oc2ccc3ccccc3c2C=C1
Show InChI InChI=1S/C12H8O3S/c13-16(14)8-7-11-10-4-2-1-3-9(10)5-6-12(11)15-16/h1-8H
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375n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426708
PNG
(CHEMBL2326509 | Naphtho[1,2-E][1,2]Oxathiine 3,3-D...)
Show SMILES O=S1(=O)Oc2ccc3ccccc3c2C=C1
Show InChI InChI=1S/C12H8O3S/c13-16(14)8-7-11-10-4-2-1-3-9(10)5-6-12(11)15-16/h1-8H
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717n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426702
PNG
(CHEMBL2326514)
Show SMILES COC(=O)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C12H9N3O5S/c1-19-12(16)10-7-15(14-13-10)9-2-3-11-8(6-9)4-5-21(17,18)20-11/h2-7H,1H3
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950n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426704
PNG
(CHEMBL2326512)
Show SMILES Clc1cc(Cl)c2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H4Cl2O3S/c9-6-3-5-1-2-14(11,12)13-8(5)7(10)4-6/h1-4H
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2.93E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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3.10E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426706
PNG
(CHEMBL2321923)
Show SMILES [O-][N+](=O)c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H5NO5S/c10-9(11)7-1-2-8-6(5-7)3-4-15(12,13)14-8/h1-5H
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3.16E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426704
PNG
(CHEMBL2326512)
Show SMILES Clc1cc(Cl)c2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H4Cl2O3S/c9-6-3-5-1-2-14(11,12)13-8(5)7(10)4-6/h1-4H
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3.26E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426706
PNG
(CHEMBL2321923)
Show SMILES [O-][N+](=O)c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H5NO5S/c10-9(11)7-1-2-8-6(5-7)3-4-15(12,13)14-8/h1-5H
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3.77E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50426707
PNG
(CHEMBL2326510)
Show SMILES Brc1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H5BrO3S/c9-7-1-2-8-6(5-7)3-4-13(10,11)12-8/h1-5H
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4.51E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50426700
PNG
(CHEMBL2326516)
Show SMILES C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C13H15N3O3SSi/c1-21(2,3)13-9-16(15-14-13)11-4-5-12-10(8-11)6-7-20(17,18)19-12/h4-9H,1-3H3
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6.00E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50426702
PNG
(CHEMBL2326514)
Show SMILES COC(=O)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C12H9N3O5S/c1-19-12(16)10-7-15(14-13-10)9-2-3-11-8(6-9)4-5-21(17,18)20-11/h2-7H,1H3
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6.33E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50426695
PNG
(CHEMBL2326521)
Show SMILES FC(F)(F)c1cccc(c1)-c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C17H10F3N3O3S/c18-17(19,20)13-3-1-2-11(8-13)15-10-23(22-21-15)14-4-5-16-12(9-14)6-7-27(24,25)26-16/h1-10H
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6.71E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50426705
PNG
(CHEMBL2326511)
Show SMILES Nc1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H7NO3S/c9-7-1-2-8-6(5-7)3-4-13(10,11)12-8/h1-5H,9H2
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6.78E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50426707
PNG
(CHEMBL2326510)
Show SMILES Brc1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C8H5BrO3S/c9-7-1-2-8-6(5-7)3-4-13(10,11)12-8/h1-5H
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6.83E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50426703
PNG
(CHEMBL2326513)
Show SMILES O=S1(=O)Oc2ccc(cc2C=C1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C16H11N3O3S/c20-23(21)9-8-13-10-14(6-7-16(13)22-23)19-11-15(17-18-19)12-4-2-1-3-5-12/h1-11H
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6.86E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50426699
PNG
(CHEMBL2326517)
Show SMILES OCc1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C11H9N3O4S/c15-7-9-6-14(13-12-9)10-1-2-11-8(5-10)3-4-19(16,17)18-11/h1-6,15H,7H2
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7.20E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50426700
PNG
(CHEMBL2326516)
Show SMILES C[Si](C)(C)c1cn(nn1)-c1ccc2OS(=O)(=O)C=Cc2c1
Show InChI InChI=1S/C13H15N3O3SSi/c1-21(2,3)13-9-16(15-14-13)11-4-5-12-10(8-11)6-7-20(17,18)19-12/h4-9H,1-3H3
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7.20E+3n/an/an/an/an/an/an/an/a



Latvian Association of Human Genetics

Curated by ChEMBL


Assay Description
Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method


J Med Chem 56: 293-300 (2013)


Article DOI: 10.1021/jm301625s
BindingDB Entry DOI: 10.7270/Q2XK8GVW
More data for this
Ligand-Target Pair
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