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PubMed code 23018095

Compile data set for download or QSAR
Found 36 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 9


(Homo sapiens (Human))
BDBM26192
PNG
(3,5-difluorophenol | phenol derivative, 6)
Show SMILES Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
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PubMed
944n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50346462
PNG
((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...)
Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl
Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2
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2.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428445
PNG
(CHEMBL272457)
Show SMILES Oc1ccc(cc1)-c1ccc(CN=O)c(O)c1C#N
Show InChI InChI=1S/C14H10N2O3/c15-7-13-12(9-1-4-11(17)5-2-9)6-3-10(8-16-19)14(13)18/h1-6,17-18H,8H2
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3.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428447
PNG
(CHEMBL479638)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
Show InChI InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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3.32E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428449
PNG
(CHEMBL449451)
Show SMILES COc1ccc(cc1F)-c1ccc(O)c(CN=O)c1
Show InChI InChI=1S/C14H12FNO3/c1-19-14-5-3-10(7-12(14)15)9-2-4-13(17)11(6-9)8-16-18/h2-7,17H,8H2,1H3
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3.66E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50346463
PNG
((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...)
Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl
Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2
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3.74E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50346462
PNG
((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...)
Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl
Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2
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3.98E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428450
PNG
(CHEMBL475278)
Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1
Show InChI InChI=1S/C13H10FNO3/c14-11-6-9(2-4-13(11)17)8-1-3-12(16)10(5-8)7-15-18/h1-6,16-17H,7H2
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4.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428450
PNG
(CHEMBL475278)
Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1
Show InChI InChI=1S/C13H10FNO3/c14-11-6-9(2-4-13(11)17)8-1-3-12(16)10(5-8)7-15-18/h1-6,16-17H,7H2
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4.24E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50346462
PNG
((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...)
Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl
Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2
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4.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428447
PNG
(CHEMBL479638)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
Show InChI InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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4.53E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428448
PNG
(CHEMBL479836)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
Show InChI InChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-7,18-19H,1H3
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4.77E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428448
PNG
(CHEMBL479836)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
Show InChI InChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-7,18-19H,1H3
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4.96E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50346463
PNG
((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...)
Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl
Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2
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5.53E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428445
PNG
(CHEMBL272457)
Show SMILES Oc1ccc(cc1)-c1ccc(CN=O)c(O)c1C#N
Show InChI InChI=1S/C14H10N2O3/c15-7-13-12(9-1-4-11(17)5-2-9)6-3-10(8-16-19)14(13)18/h1-6,17-18H,8H2
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5.87E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428449
PNG
(CHEMBL449451)
Show SMILES COc1ccc(cc1F)-c1ccc(O)c(CN=O)c1
Show InChI InChI=1S/C14H12FNO3/c1-19-14-5-3-10(7-12(14)15)9-2-4-13(17)11(6-9)8-16-18/h2-7,17H,8H2,1H3
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5.94E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50346462
PNG
((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...)
Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl
Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2
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6.02E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428446
PNG
(CHEMBL272458)
Show SMILES Cc1c(O)c(CN=O)ccc1-c1ccc(O)cc1
Show InChI InChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-7,16-17H,8H2,1H3
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6.35E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428446
PNG
(CHEMBL272458)
Show SMILES Cc1c(O)c(CN=O)ccc1-c1ccc(O)cc1
Show InChI InChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-7,16-17H,8H2,1H3
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6.43E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428447
PNG
(CHEMBL479638)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
Show InChI InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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6.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428449
PNG
(CHEMBL449451)
Show SMILES COc1ccc(cc1F)-c1ccc(O)c(CN=O)c1
Show InChI InChI=1S/C14H12FNO3/c1-19-14-5-3-10(7-12(14)15)9-2-4-13(17)11(6-9)8-16-18/h2-7,17H,8H2,1H3
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6.93E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428450
PNG
(CHEMBL475278)
Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1
Show InChI InChI=1S/C13H10FNO3/c14-11-6-9(2-4-13(11)17)8-1-3-12(16)10(5-8)7-15-18/h1-6,16-17H,7H2
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6.99E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50346463
PNG
((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...)
Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl
Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2
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7.04E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428448
PNG
(CHEMBL479836)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
Show InChI InChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-7,18-19H,1H3
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7.08E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50346463
PNG
((E)-2-chloro-3'-fluoro-4,4'-dihydroxybiphenyl-3-ca...)
Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1Cl
Show InChI InChI=1S/C13H9ClFNO3/c14-13-8(2-4-11(17)9(13)6-16-19)7-1-3-12(18)10(15)5-7/h1-5,17-18H,6H2
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7.27E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428446
PNG
(CHEMBL272458)
Show SMILES Cc1c(O)c(CN=O)ccc1-c1ccc(O)cc1
Show InChI InChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-7,16-17H,8H2,1H3
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7.45E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428448
PNG
(CHEMBL479836)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)c(F)c2)c(Cl)c1O
Show InChI InChI=1S/C14H11ClFNO3/c1-7(17-20)9-3-4-10(13(15)14(9)19)8-2-5-12(18)11(16)6-8/h2-7,18-19H,1H3
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7.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428445
PNG
(CHEMBL272457)
Show SMILES Oc1ccc(cc1)-c1ccc(CN=O)c(O)c1C#N
Show InChI InChI=1S/C14H10N2O3/c15-7-13-12(9-1-4-11(17)5-2-9)6-3-10(8-16-19)14(13)18/h1-6,17-18H,8H2
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7.65E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428445
PNG
(CHEMBL272457)
Show SMILES Oc1ccc(cc1)-c1ccc(CN=O)c(O)c1C#N
Show InChI InChI=1S/C14H10N2O3/c15-7-13-12(9-1-4-11(17)5-2-9)6-3-10(8-16-19)14(13)18/h1-6,17-18H,8H2
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7.72E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428446
PNG
(CHEMBL272458)
Show SMILES Cc1c(O)c(CN=O)ccc1-c1ccc(O)cc1
Show InChI InChI=1S/C14H13NO3/c1-9-13(10-2-5-12(16)6-3-10)7-4-11(8-15-18)14(9)17/h2-7,16-17H,8H2,1H3
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7.88E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428450
PNG
(CHEMBL475278)
Show SMILES Oc1ccc(cc1F)-c1ccc(O)c(CN=O)c1
Show InChI InChI=1S/C13H10FNO3/c14-11-6-9(2-4-13(11)17)8-1-3-12(16)10(5-8)7-15-18/h1-6,16-17H,7H2
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9.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428447
PNG
(CHEMBL479638)
Show SMILES CC(N=O)c1ccc(-c2ccc(O)cc2)c(Cl)c1O
Show InChI InChI=1S/C14H12ClNO3/c1-8(16-19)11-6-7-12(13(15)14(11)18)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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1.02E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428449
PNG
(CHEMBL449451)
Show SMILES COc1ccc(cc1F)-c1ccc(O)c(CN=O)c1
Show InChI InChI=1S/C14H12FNO3/c1-19-14-5-3-10(7-12(14)15)9-2-4-13(17)11(6-9)8-16-18/h2-7,17H,8H2,1H3
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1.02E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26192
PNG
(3,5-difluorophenol | phenol derivative, 6)
Show SMILES Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
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3.88E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM26192
PNG
(3,5-difluorophenol | phenol derivative, 6)
Show SMILES Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
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7.02E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26192
PNG
(3,5-difluorophenol | phenol derivative, 6)
Show SMILES Oc1cc(F)cc(F)c1
Show InChI InChI=1S/C6H4F2O/c7-4-1-5(8)3-6(9)2-4/h1-3,9H
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3.40E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Pisa

Curated by ChEMBL


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


Bioorg Med Chem 21: 1511-5 (2013)


Article DOI: 10.1016/j.bmc.2012.08.057
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%