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PubMed code 23010455

Compile data set for download or QSAR
Found 108 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))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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2.30E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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2.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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2.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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3.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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3.30E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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3.60E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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3.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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3.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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4.00E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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4.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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4.30E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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4.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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4.50E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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4.60E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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4.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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4.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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4.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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5.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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5.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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5.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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5.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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5.50E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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5.50E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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5.60E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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5.60E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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5.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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5.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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5.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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5.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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6.00E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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6.30E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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6.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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6.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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6.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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6.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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6.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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6.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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6.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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7.00E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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7.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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7.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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7.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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7.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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7.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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7.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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7.90E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.00E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.10E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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8.30E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.40E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.50E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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8.50E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.60E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.60E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.70E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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8.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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8.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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8.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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8.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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9.00E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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9.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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9.20E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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9.30E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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9.30E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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9.30E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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9.50E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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9.50E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 4


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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PubMed
9.50E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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9.80E+3n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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1.02E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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PubMed
1.15E+4n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50426826
PNG
(CHEMBL2323137)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50426828
PNG
(CHEMBL2323135)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)10-7-17-5-8-18(29)9-6-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50426829
PNG
(CHEMBL2323134)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23+,24+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase III


(Homo sapiens (Human))
BDBM50426827
PNG
(CHEMBL2323136)
Show SMILES CC(=O)OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O |r,w:11.10|
Show InChI InChI=1S/C24H28O11/c1-13(25)31-12-21-23(33-15(3)27)24(34-16(4)28)22(32-14(2)26)20(35-21)11-19(30)9-8-17-6-5-7-18(29)10-17/h5-10,20-24,29H,11-12H2,1-4H3/t20-,21+,22-,23-,24+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50426823
PNG
(CHEMBL2323140)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2ccc(O)cc2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)6-3-9-1-4-10(18)5-2-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM50426825
PNG
(CHEMBL2323138)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15+,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase XIV


(Homo sapiens (Human))
BDBM50426824
PNG
(CHEMBL2323139)
Show SMILES OC[C@H]1O[C@@H](CC(=O)C=Cc2cccc(O)c2)[C@H](O)[C@@H](O)[C@H]1O |r,w:8.7|
Show InChI InChI=1S/C16H20O7/c17-8-13-15(21)16(22)14(20)12(23-13)7-11(19)5-4-9-2-1-3-10(18)6-9/h1-6,12-18,20-22H,7-8H2/t12-,13+,14-,15-,16+/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 6 (CA-VI)


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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2.08E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VA


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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2.18E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic Anhydrase VB


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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5.43E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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6.97E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM26187
PNG
(α-CA inhibitor, 11 | CHEMBL14060 | US9688816,...)
Show SMILES Oc1ccccc1
Show InChI InChI=1S/C6H6O/c7-6-4-2-1-3-5-6/h1-5,7H
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7.10E+5n/an/an/an/an/an/an/an/a



Universidad Nacional de La Plata

Curated by ChEMBL


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


Bioorg Med Chem 21: 1489-94 (2013)


Article DOI: 10.1016/j.bmc.2012.09.002
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%