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PubMed code 26498394

Compile data set for download or QSAR
Found 105 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 XIV


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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310n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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370n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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420n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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470n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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510n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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520n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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540n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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560n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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600n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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620n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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620n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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630n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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640n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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660n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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670n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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710n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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710n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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720n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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730n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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740n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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740n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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750n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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760n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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770n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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780n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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790n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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800n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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810n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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810n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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810n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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820n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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820n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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820n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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840n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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850n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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850n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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860n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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880n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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880n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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900n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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910n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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930n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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940n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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970n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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970n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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990n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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1.03E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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3.66E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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3.87E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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5.23E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
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6.68E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
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8.01E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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8.05E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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8.47E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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8.71E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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8.89E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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8.92E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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9.06E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50214744
PNG
((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1O
Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
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9.43E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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9.62E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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9.67E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50214744
PNG
((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1O
Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
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9.78E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM4374
PNG
((2E)-3-(4-hydroxyphenyl)prop-2-enoic acid | (2E)-3...)
Show SMILES OC(=O)\C=C\c1ccc(O)cc1
Show InChI InChI=1S/C9H8O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6,10H,(H,11,12)/b6-3+
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1.01E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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1.05E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM4375
PNG
((2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid | (2...)
Show SMILES OC(=O)\C=C\c1ccc(O)c(O)c1
Show InChI InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+
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1.09E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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1.16E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50214744
PNG
((2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic aci...)
Show SMILES COc1cc(\C=C\C(O)=O)ccc1O
Show InChI InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+
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1.22E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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1.25E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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1.27E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase XIII


(Mus musculus (mouse))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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1.39E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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1.87E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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2.31E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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2.41E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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2.92E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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2.94E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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3.32E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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3.95E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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4.05E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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4.40E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131680
PNG
(CHEMBL3628212)
Show SMILES Oc1ccc(\C=C\C(=O)OCCc2cccc(O)c2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-7-4-13(5-8-15)6-9-17(20)21-11-10-14-2-1-3-16(19)12-14/h1-9,12,18-19H,10-11H2/b9-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131682
PNG
(CHEMBL3628132)
Show SMILES Oc1cccc(CCOc2cccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)c2)c1
Show InChI InChI=1S/C25H24O6/c26-21-5-1-3-18(15-21)11-13-30-22-6-2-4-19(16-22)12-14-31-25(29)10-8-20-7-9-23(27)24(28)17-20/h1-10,15-17,26-28H,11-14H2/b10-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50131678
PNG
(CHEMBL3628210)
Show SMILES COc1cc(\C=C\C(=O)OCCc2cccc(O)c2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(5-7-16(17)20)6-8-18(21)23-10-9-13-3-2-4-15(19)11-13/h2-8,11-12,19-20H,9-10H2,1H3/b8-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50362850
PNG
(CHEMBL1095574)
Show SMILES Oc1ccc(\C=C\C(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C16H14O3/c17-15-9-6-13(7-10-15)8-11-16(18)19-12-14-4-2-1-3-5-14/h1-11,17H,12H2/b11-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50131679
PNG
(CHEMBL3628211 | p-Hydroxyphenylethyl p-coumarate (...)
Show SMILES Oc1ccc(CCOC(=O)\C=C\c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H16O4/c18-15-6-1-13(2-7-15)5-10-17(20)21-12-11-14-3-8-16(19)9-4-14/h1-10,18-19H,11-12H2/b10-5+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50131683
PNG
(BENZYL FERULATE | Benzyl (E)-Ferulate | Benzyl Fer...)
Show SMILES COc1cc(\C=C\C(=O)OCc2ccccc2)ccc1O
Show InChI InChI=1S/C17H16O4/c1-20-16-11-13(7-9-15(16)18)8-10-17(19)21-12-14-5-3-2-4-6-14/h2-11,18H,12H2,1H3/b10-8+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50131681
PNG
(CHEMBL3628131)
Show SMILES Oc1ccc(CCOc2ccc(CCOC(=O)\C=C\c3ccc(O)c(O)c3)cc2)cc1
Show InChI InChI=1S/C25H24O6/c26-21-7-1-18(2-8-21)13-15-30-22-9-3-19(4-10-22)14-16-31-25(29)12-6-20-5-11-23(27)24(28)17-20/h1-12,17,26-28H,13-16H2/b12-6+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50259746
PNG
((4-Hydroxyphenyl)ethyl trans-ferulate | CHEMBL4812...)
Show SMILES COc1cc(\C=C\C(=O)OCCc2ccc(O)cc2)ccc1O
Show InChI InChI=1S/C18H18O5/c1-22-17-12-14(4-8-16(17)20)5-9-18(21)23-11-10-13-2-6-15(19)7-3-13/h2-9,12,19-20H,10-11H2,1H3/b9-5+
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>5.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 23: 7181-8 (2015)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%