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Compile Data Set for Download or QSAR

Found 92 hits Enz. Inhib. hit(s) with all data for entry = 50045370   
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))
BDBM50059068
PNG
(CHEMBL3326413)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCBr)nn1
Show InChI InChI=1S/C10H7BrF4N4O2S/c11-2-1-4-3-19(18-17-4)9-5(12)7(14)10(22(16,20)21)8(15)6(9)13/h3H,1-2H2,(H2,16,20,21)
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0.800n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50058941
PNG
(CHEMBL3326411)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)
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0.800n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059069
PNG
(CHEMBL3326414)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCl)nn1
Show InChI InChI=1S/C11H9ClF4N4O2S/c12-3-1-2-5-4-20(19-18-5)10-6(13)8(15)11(23(17,21)22)9(16)7(10)14/h4H,1-3H2,(H2,17,21,22)
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0.900n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059070
PNG
(CHEMBL3326415)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCCl)nn1
Show InChI InChI=1S/C12H11ClF4N4O2S/c13-4-2-1-3-6-5-21(20-19-6)11-7(14)9(16)12(24(18,22)23)10(17)8(11)15/h5H,1-4H2,(H2,18,22,23)
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1.10n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50058937
PNG
(CHEMBL3326401)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C14H18N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,19,20)
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1.40n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50058941
PNG
(CHEMBL3326411)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)
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1.5n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059080
PNG
(CHEMBL3326409)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C15H10F4N4O2S/c1-7-2-4-8(5-3-7)9-6-23(22-21-9)14-10(16)12(18)15(26(20,24)25)13(19)11(14)17/h2-6H,1H3,(H2,20,24,25)
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059078
PNG
(CHEMBL3326407)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H19N5O4S/c1-14(2,3)23-13(20)16-8-10-9-19(18-17-10)11-4-6-12(7-5-11)24(15,21)22/h4-7,9H,8H2,1-3H3,(H,16,20)(H2,15,21,22)
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1.90n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059076
PNG
(CHEMBL3326405)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCCCCl)nn1
Show InChI InChI=1S/C12H15ClN4O2S/c13-8-2-1-3-10-9-17(16-15-10)11-4-6-12(7-5-11)20(14,18)19/h4-7,9H,1-3,8H2,(H2,14,18,19)
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2n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059075
PNG
(CHEMBL3326404)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCCCl)nn1
Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(H2,13,17,18)
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2.30n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059074
PNG
(CHEMBL3326403)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCBr)nn1
Show InChI InChI=1S/C10H11BrN4O2S/c11-6-5-8-7-15(14-13-8)9-1-3-10(4-2-9)18(12,16)17/h1-4,7H,5-6H2,(H2,12,16,17)
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2.5n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059072
PNG
(CHEMBL3326417)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CO)nn1
Show InChI InChI=1S/C9H6F4N4O3S/c10-4-6(12)9(21(14,19)20)7(13)5(11)8(4)17-1-3(2-18)15-16-17/h1,18H,2H2,(H2,14,19,20)
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2.60n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50058938
PNG
(CHEMBL3326419)
Show SMILES NCc1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C9H7F4N5O2S/c10-4-6(12)9(21(15,19)20)7(13)5(11)8(4)18-2-3(1-14)16-17-18/h2H,1,14H2,(H2,15,19,20)
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2.70n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50058937
PNG
(CHEMBL3326401)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C14H18N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h6-11H,1-5H2,(H2,15,19,20)
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3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM15233
PNG
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
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3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059079
PNG
(CHEMBL3326408)
Show SMILES NCc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O2S/c10-5-7-6-14(13-12-7)8-1-3-9(4-2-8)17(11,15)16/h1-4,6H,5,10H2,(H2,11,15,16)
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3.20n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50262063
PNG
(4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)13-6-8-14(9-7-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
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3.60n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50058939
PNG
(CHEMBL3326418)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C14H15F4N5O4S/c1-14(2,3)27-13(24)20-4-6-5-23(22-21-6)11-7(15)9(17)12(28(19,25)26)10(18)8(11)16/h5H,4H2,1-3H3,(H,20,24)(H2,19,25,26)
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3.60n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059070
PNG
(CHEMBL3326415)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCCl)nn1
Show InChI InChI=1S/C12H11ClF4N4O2S/c13-4-2-1-3-6-5-21(20-19-6)11-7(14)9(16)12(24(18,22)23)10(17)8(11)15/h5H,1-4H2,(H2,18,22,23)
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4.5n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059069
PNG
(CHEMBL3326414)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCCCl)nn1
Show InChI InChI=1S/C11H9ClF4N4O2S/c12-3-1-2-5-4-20(19-18-5)10-6(13)8(15)11(23(17,21)22)9(16)7(10)14/h4H,1-3H2,(H2,17,21,22)
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4.70n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059073
PNG
(CHEMBL3326402)
Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H22N4O2S/c1-2-3-4-5-15-6-8-16(9-7-15)19-14-23(22-21-19)17-10-12-18(13-11-17)26(20,24)25/h6-14H,2-5H2,1H3,(H2,20,24,25)
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5n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059068
PNG
(CHEMBL3326413)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CCBr)nn1
Show InChI InChI=1S/C10H7BrF4N4O2S/c11-2-1-4-3-19(18-17-4)9-5(12)7(14)10(22(16,20)21)8(15)6(9)13/h3H,1-2H2,(H2,16,20,21)
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5.30n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059076
PNG
(CHEMBL3326405)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCCCCl)nn1
Show InChI InChI=1S/C12H15ClN4O2S/c13-8-2-1-3-10-9-17(16-15-10)11-4-6-12(7-5-11)20(14,18)19/h4-7,9H,1-3,8H2,(H2,14,18,19)
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5.40n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50058940
PNG
(CHEMBL3326410)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H8F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h1-6H,(H2,19,23,24)
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5.70n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
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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5.70n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50262062
PNG
(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20)
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6n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059075
PNG
(CHEMBL3326404)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCCCl)nn1
Show InChI InChI=1S/C11H13ClN4O2S/c12-7-1-2-9-8-16(15-14-9)10-3-5-11(6-4-10)19(13,17)18/h3-6,8H,1-2,7H2,(H2,13,17,18)
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6.20n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059074
PNG
(CHEMBL3326403)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CCBr)nn1
Show InChI InChI=1S/C10H11BrN4O2S/c11-6-5-8-7-15(14-13-8)9-1-3-10(4-2-9)18(12,16)17/h1-4,7H,5-6H2,(H2,12,16,17)
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6.90n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM15233
PNG
(4-[4-(hydroxymethyl)-1H-1,2,3-triazol-1-yl]benzene...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(CO)nn1
Show InChI InChI=1S/C9H10N4O3S/c10-17(15,16)9-3-1-8(2-4-9)13-5-7(6-14)11-12-13/h1-5,14H,6H2,(H2,10,15,16)
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8.10n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50058938
PNG
(CHEMBL3326419)
Show SMILES NCc1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C9H7F4N5O2S/c10-4-6(12)9(21(15,19)20)7(13)5(11)8(4)18-2-3(1-14)16-17-18/h2H,1,14H2,(H2,15,19,20)
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10n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059078
PNG
(CHEMBL3326407)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H19N5O4S/c1-14(2,3)23-13(20)16-8-10-9-19(18-17-10)11-4-6-12(7-5-11)24(15,21)22/h4-7,9H,8H2,1-3H3,(H,16,20)(H2,15,21,22)
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11n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059067
PNG
(CHEMBL3326412)
Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C19H18F4N4O2S/c1-2-3-4-5-11-6-8-12(9-7-11)13-10-27(26-25-13)18-14(20)16(22)19(30(24,28)29)17(23)15(18)21/h6-10H,2-5H2,1H3,(H2,24,28,29)
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11n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50059073
PNG
(CHEMBL3326402)
Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C19H22N4O2S/c1-2-3-4-5-15-6-8-16(9-7-15)19-14-23(22-21-19)17-10-12-18(13-11-17)26(20,24)25/h6-14H,2-5H2,1H3,(H2,20,24,25)
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12n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059079
PNG
(CHEMBL3326408)
Show SMILES NCc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H11N5O2S/c10-5-7-6-14(13-12-7)8-1-3-9(4-2-8)17(11,15)16/h1-4,6H,5,10H2,(H2,11,15,16)
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12n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
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



Universit£ di Sassari

Curated by ChEMBL


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


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059072
PNG
(CHEMBL3326417)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(CO)nn1
Show InChI InChI=1S/C9H6F4N4O3S/c10-4-6(12)9(21(14,19)20)7(13)5(11)8(4)17-1-3(2-18)15-16-17/h1,18H,2H2,(H2,14,19,20)
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13n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50058939
PNG
(CHEMBL3326418)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C14H15F4N5O4S/c1-14(2,3)27-13(24)20-4-6-5-23(22-21-6)11-7(15)9(17)12(28(19,25)26)10(18)8(11)16/h5H,4H2,1-3H3,(H,20,24)(H2,19,25,26)
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14n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059080
PNG
(CHEMBL3326409)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C15H10F4N4O2S/c1-7-2-4-8(5-3-7)9-6-23(22-21-9)14-10(16)12(18)15(26(20,24)25)13(19)11(14)17/h2-6H,1H3,(H2,20,24,25)
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21n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50262063
PNG
(4-(4-p-tolyl-1H-1,2,3-triazol-1-yl)benzenesulfonam...)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H14N4O2S/c1-11-2-4-12(5-3-11)15-10-19(18-17-15)13-6-8-14(9-7-13)22(16,20)21/h2-10H,1H3,(H2,16,20,21)
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22n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
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



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50058940
PNG
(CHEMBL3326410)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H8F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h1-6H,(H2,19,23,24)
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25n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50262062
PNG
(4-(4-phenyl-1H-1,2,3-triazol-1-yl)benzenesulfonami...)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H12N4O2S/c15-21(19,20)13-8-6-12(7-9-13)18-10-14(16-17-18)11-4-2-1-3-5-11/h1-10H,(H2,15,19,20)
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26n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50058939
PNG
(CHEMBL3326418)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C14H15F4N5O4S/c1-14(2,3)27-13(24)20-4-6-5-23(22-21-6)11-7(15)9(17)12(28(19,25)26)10(18)8(11)16/h5H,4H2,1-3H3,(H,20,24)(H2,19,25,26)
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27n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


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


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50058940
PNG
(CHEMBL3326410)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H8F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h1-6H,(H2,19,23,24)
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30n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


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


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50059078
PNG
(CHEMBL3326407)
Show SMILES CC(C)(C)OC(=O)NCc1cn(nn1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C14H19N5O4S/c1-14(2,3)23-13(20)16-8-10-9-19(18-17-10)11-4-6-12(7-5-11)24(15,21)22/h4-7,9H,8H2,1-3H3,(H,16,20)(H2,15,21,22)
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33n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


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


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50059067
PNG
(CHEMBL3326412)
Show SMILES CCCCCc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C19H18F4N4O2S/c1-2-3-4-5-11-6-8-12(9-7-11)13-10-27(26-25-13)18-14(20)16(22)19(30(24,28)29)17(23)15(18)21/h6-10H,2-5H2,1H3,(H2,24,28,29)
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39n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM50058941
PNG
(CHEMBL3326411)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)
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41n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


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


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50059080
PNG
(CHEMBL3326409)
Show SMILES Cc1ccc(cc1)-c1cn(nn1)-c1c(F)c(F)c(c(F)c1F)S(N)(=O)=O
Show InChI InChI=1S/C15H10F4N4O2S/c1-7-2-4-8(5-3-7)9-6-23(22-21-9)14-10(16)12(18)15(26(20,24)25)13(19)11(14)17/h2-6H,1H3,(H2,20,24,25)
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42n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


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


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50058940
PNG
(CHEMBL3326410)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)-c1ccccc1
Show InChI InChI=1S/C14H8F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h1-6H,(H2,19,23,24)
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42n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


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


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (human))
BDBM50058941
PNG
(CHEMBL3326411)
Show SMILES NS(=O)(=O)c1c(F)c(F)c(c(F)c1F)-n1cc(nn1)C1CCCCC1
Show InChI InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)
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43n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


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


ACS Med Chem Lett 5: 927-30 (2014)


Article DOI: 10.1021/ml500196t
BindingDB Entry DOI: 10.7270/Q2ZS2Z68
More data for this
Ligand-Target Pair
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