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PubMed code 22487176

Compile data set for download or QSAR
Found 109 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 2


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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910n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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1.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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1.65E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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1.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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1.88E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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1.89E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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1.95E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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2.01E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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2.18E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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2.24E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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2.26E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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2.27E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5a preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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2.32E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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2.41E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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2.48E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5b preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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2.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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2.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5a preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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2.65E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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2.71E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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2.82E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5b preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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2.83E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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2.86E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5a preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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3.24E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 5b preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.28E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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3.37E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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3.43E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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3.60E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 15


(Mus musculus)
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of mouse carbonic anhydrase 15 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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3.91E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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4.01E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 4 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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4.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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4.22E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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4.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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4.38E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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4.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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4.85E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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4.92E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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5.10E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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5.21E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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5.42E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 1 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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5.49E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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5.54E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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5.63E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 9 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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5.90E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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6.49E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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6.59E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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6.65E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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6.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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6.75E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 3 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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7.22E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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7.33E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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7.85E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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7.95E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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8.13E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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8.25E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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8.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM26664
PNG
(7-Hydroxy-flavone, 5a | 7-Hydroxyflavone, 11 | 7-h...)
Show SMILES Oc1ccc2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-11-6-7-12-13(17)9-14(18-15(12)8-11)10-4-2-1-3-5-10/h1-9,16H
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8.51E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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8.58E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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8.63E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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8.71E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50028962
PNG
(CHEMBL275638 | flavone)
Show SMILES O=c1cc(oc2ccccc12)-c1ccccc1
Show InChI InChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
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8.80E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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8.95E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 6 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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8.96E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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8.98E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM7461
PNG
(5,7-dihydroxy-2-phenyl-4H-chromen-4-one | 5,7-dihy...)
Show SMILES Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccccc1
Show InChI InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
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9.07E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of transmembrane tumor-associated human carbonic anhydrase 12 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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9.20E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of cytosolic human carbonic anhydrase 2 preincubated for 12 hrs by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50187668
PNG
(3-Hydroxyflavone | 3-Hydroxyflavone (12) | 3-hydro...)
Show SMILES Oc1c(oc2ccccc2c1=O)-c1ccccc1
Show InChI InChI=1S/C15H10O3/c16-13-11-8-4-5-9-12(11)18-15(14(13)17)10-6-2-1-3-7-10/h1-9,17H
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9.30E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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9.31E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM23926
PNG
((E)-resveratrol | 5-[(E)-2-(4-hydroxyphenyl)etheny...)
Show SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Show InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
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9.53E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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9.67E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 15 mins by stopped flow CO2 hydration assay


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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n/an/a 3.62E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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n/an/a 3.66E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381325
PNG
(CHEMBL2019140)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-7-10(17)5-6-12(11)20-15(13)18/h1-7H,18H2
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n/an/a 4.61E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381337
PNG
(CHEMBL2019154)
Show SMILES COc1ccc(cc1)-c1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C16H11ClO3/c1-19-13-5-2-10(3-6-13)14-9-11-8-12(17)4-7-15(11)20-16(14)18/h2-9H,1H3
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n/an/a 4.81E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381322
PNG
(CHEMBL2019136)
Show SMILES Nc1oc2ccccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C15H11NO2/c16-15-13(10-6-2-1-3-7-10)14(17)11-8-4-5-9-12(11)18-15/h1-9H,16H2
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n/an/a 4.87E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381333
PNG
(CHEMBL2019150)
Show SMILES COc1ccc(cc1)-c1c(N)oc2cc(OC)ccc2c1=O
Show InChI InChI=1S/C17H15NO4/c1-20-11-5-3-10(4-6-11)15-16(19)13-8-7-12(21-2)9-14(13)22-17(15)18/h3-9H,18H2,1-2H3
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n/an/a 5.85E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381336
PNG
(CHEMBL2019153)
Show SMILES Nc1nc2cc(Cl)ccc2c(O)c1-c1ccccc1
Show InChI InChI=1S/C15H11ClN2O/c16-10-6-7-11-12(8-10)18-15(17)13(14(11)19)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)
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n/an/a 6.44E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381327
PNG
(CHEMBL2019142)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccccc2c1=O
Show InChI InChI=1S/C16H13NO3/c1-19-11-8-6-10(7-9-11)14-15(18)12-4-2-3-5-13(12)20-16(14)17/h2-9H,17H2,1H3
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n/an/a 6.51E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381324
PNG
(CHEMBL2019138)
Show SMILES Nc1oc2cc(Cl)ccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C15H10ClNO2/c16-10-6-7-11-12(8-10)19-15(17)13(14(11)18)9-4-2-1-3-5-9/h1-8H,17H2
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n/an/a 6.79E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381328
PNG
(CHEMBL2019144)
Show SMILES COc1ccc(cc1)-c1c(N)oc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-7-4-10(17)8-13(12)21-16(14)18/h2-8H,18H2,1H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381330
PNG
(CHEMBL2019146)
Show SMILES COc1ccc(cc1OC)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C17H14ClNO4/c1-21-13-5-3-9(7-14(13)22-2)15-16(20)11-8-10(18)4-6-12(11)23-17(15)19/h3-8H,19H2,1-2H3
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n/an/a 7.59E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381321
PNG
(CHEMBL2019139)
Show SMILES Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClNO2/c16-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)19-15(13)17/h1-8H,17H2
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n/an/a 7.66E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381330
PNG
(CHEMBL2019146)
Show SMILES COc1ccc(cc1OC)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C17H14ClNO4/c1-21-13-5-3-9(7-14(13)22-2)15-16(20)11-8-10(18)4-6-12(11)23-17(15)19/h3-8H,19H2,1-2H3
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n/an/a 7.68E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381320
PNG
(CHEMBL2019148)
Show SMILES COc1ccc2c(c1)oc(N)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C16H13NO3/c1-19-11-7-8-12-13(9-11)20-16(17)14(15(12)18)10-5-3-2-4-6-10/h2-9H,17H2,1H3
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n/an/a 7.87E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381327
PNG
(CHEMBL2019142)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccccc2c1=O
Show InChI InChI=1S/C16H13NO3/c1-19-11-8-6-10(7-9-11)14-15(18)12-4-2-3-5-13(12)20-16(14)17/h2-9H,17H2,1H3
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n/an/a 8.06E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381328
PNG
(CHEMBL2019144)
Show SMILES COc1ccc(cc1)-c1c(N)oc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-7-4-10(17)8-13(12)21-16(14)18/h2-8H,18H2,1H3
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n/an/a 8.07E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381326
PNG
(CHEMBL2019141)
Show SMILES Nc1oc2cc(Cl)ccc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-6-5-10(17)7-12(11)20-15(13)18/h1-7H,18H2
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n/an/a 8.12E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381326
PNG
(CHEMBL2019141)
Show SMILES Nc1oc2cc(Cl)ccc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H9Cl2NO2/c16-9-3-1-8(2-4-9)13-14(19)11-6-5-10(17)7-12(11)20-15(13)18/h1-7H,18H2
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n/an/a 8.25E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381329
PNG
(CHEMBL2019145)
Show SMILES COc1ccc(cc1OC)-c1c(N)oc2ccccc2c1=O
Show InChI InChI=1S/C17H15NO4/c1-20-13-8-7-10(9-14(13)21-2)15-16(19)11-5-3-4-6-12(11)22-17(15)18/h3-9H,18H2,1-2H3
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n/an/a 8.28E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381334
PNG
(CHEMBL2019151)
Show SMILES COc1ccc2c(c1)oc(N)c(-c1ccc(OC)c(OC)c1)c2=O
Show InChI InChI=1S/C18H17NO5/c1-21-11-5-6-12-14(9-11)24-18(19)16(17(12)20)10-4-7-13(22-2)15(8-10)23-3/h4-9H,19H2,1-3H3
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n/an/a 8.30E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381334
PNG
(CHEMBL2019151)
Show SMILES COc1ccc2c(c1)oc(N)c(-c1ccc(OC)c(OC)c1)c2=O
Show InChI InChI=1S/C18H17NO5/c1-21-11-5-6-12-14(9-11)24-18(19)16(17(12)20)10-4-7-13(22-2)15(8-10)23-3/h4-9H,19H2,1-3H3
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n/an/a 8.35E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381329
PNG
(CHEMBL2019145)
Show SMILES COc1ccc(cc1OC)-c1c(N)oc2ccccc2c1=O
Show InChI InChI=1S/C17H15NO4/c1-20-13-8-7-10(9-14(13)21-2)15-16(19)11-5-3-4-6-12(11)22-17(15)18/h3-9H,18H2,1-2H3
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Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381336
PNG
(CHEMBL2019153)
Show SMILES Nc1nc2cc(Cl)ccc2c(O)c1-c1ccccc1
Show InChI InChI=1S/C15H11ClN2O/c16-10-6-7-11-12(8-10)18-15(17)13(14(11)19)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)
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n/an/a 8.51E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381321
PNG
(CHEMBL2019139)
Show SMILES Nc1oc2ccccc2c(=O)c1-c1ccc(Cl)cc1
Show InChI InChI=1S/C15H10ClNO2/c16-10-7-5-9(6-8-10)13-14(18)11-3-1-2-4-12(11)19-15(13)17/h1-8H,17H2
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n/an/a 8.66E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381333
PNG
(CHEMBL2019150)
Show SMILES COc1ccc(cc1)-c1c(N)oc2cc(OC)ccc2c1=O
Show InChI InChI=1S/C17H15NO4/c1-20-11-5-3-10(4-6-11)15-16(19)13-8-7-12(21-2)9-14(13)22-17(15)18/h3-9H,18H2,1-2H3
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n/an/a 8.74E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381335
PNG
(CHEMBL2019152)
Show SMILES Nc1nc2ccc(Cl)cc2c(O)c1-c1ccccc1
Show InChI InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)14(19)13(15(17)18-12)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)
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n/an/a 9.02E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381324
PNG
(CHEMBL2019138)
Show SMILES Nc1oc2cc(Cl)ccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C15H10ClNO2/c16-10-6-7-11-12(8-10)19-15(17)13(14(11)18)9-4-2-1-3-5-9/h1-8H,17H2
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n/an/a 9.07E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381337
PNG
(CHEMBL2019154)
Show SMILES COc1ccc(cc1)-c1cc2cc(Cl)ccc2oc1=O
Show InChI InChI=1S/C16H11ClO3/c1-19-13-5-2-10(3-6-13)14-9-11-8-12(17)4-7-15(11)20-16(14)18/h2-9H,1H3
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n/an/a 9.33E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381322
PNG
(CHEMBL2019136)
Show SMILES Nc1oc2ccccc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C15H11NO2/c16-15-13(10-6-2-1-3-7-10)14(17)11-8-4-5-9-12(11)18-15/h1-9H,16H2
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n/an/a 9.43E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381319
PNG
(CHEMBL2019143)
Show SMILES COc1ccc(cc1)-c1c(N)oc2ccc(Cl)cc2c1=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-5-2-9(3-6-11)14-15(19)12-8-10(17)4-7-13(12)21-16(14)18/h2-8H,18H2,1H3
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n/an/a 9.56E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381335
PNG
(CHEMBL2019152)
Show SMILES Nc1nc2ccc(Cl)cc2c(O)c1-c1ccccc1
Show InChI InChI=1S/C15H11ClN2O/c16-10-6-7-12-11(8-10)14(19)13(15(17)18-12)9-4-2-1-3-5-9/h1-8H,(H3,17,18,19)
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n/an/a 9.72E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381320
PNG
(CHEMBL2019148)
Show SMILES COc1ccc2c(c1)oc(N)c(-c1ccccc1)c2=O
Show InChI InChI=1S/C16H13NO3/c1-19-11-7-8-12-13(9-11)20-16(17)14(15(12)18)10-5-3-2-4-6-10/h2-9H,17H2,1H3
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n/an/a 9.85E+3n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381331
PNG
(CHEMBL2019147)
Show SMILES COc1ccc(cc1OC)-c1c(N)oc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C17H14ClNO4/c1-21-12-6-3-9(7-14(12)22-2)15-16(20)11-5-4-10(18)8-13(11)23-17(15)19/h3-8H,19H2,1-2H3
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n/an/a 1.37E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381323
PNG
(CHEMBL2019137)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)14(18)13(15(17)19-12)9-4-2-1-3-5-9/h1-8H,17H2
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n/an/a 3.62E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50381332
PNG
(CHEMBL2019149)
Show SMILES COc1ccc2c(c1)oc(N)c(-c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-6-7-12-13(8-11)21-16(18)14(15(12)19)9-2-4-10(17)5-3-9/h2-8H,18H2,1H3
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n/an/a 3.67E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381323
PNG
(CHEMBL2019137)
Show SMILES Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccccc1
Show InChI InChI=1S/C15H10ClNO2/c16-10-6-7-12-11(8-10)14(18)13(15(17)19-12)9-4-2-1-3-5-9/h1-8H,17H2
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n/an/a 4.62E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381331
PNG
(CHEMBL2019147)
Show SMILES COc1ccc(cc1OC)-c1c(N)oc2cc(Cl)ccc2c1=O
Show InChI InChI=1S/C17H14ClNO4/c1-21-12-6-3-9(7-14(12)22-2)15-16(20)11-5-4-10(18)8-13(11)23-17(15)19/h3-8H,19H2,1-2H3
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n/an/a 5.41E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50381332
PNG
(CHEMBL2019149)
Show SMILES COc1ccc2c(c1)oc(N)c(-c1ccc(Cl)cc1)c2=O
Show InChI InChI=1S/C16H12ClNO3/c1-20-11-6-7-12-13(8-11)21-16(18)14(15(12)19)9-2-4-10(17)5-3-9/h2-8H,18H2,1H3
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n/an/a 9.57E+4n/an/an/an/an/an/a



Universit£ degli Studi di Cagliari

Curated by ChEMBL


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


Bioorg Med Chem Lett 22: 3063-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.03.071
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%