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PubMed code 22892213

Compile data set for download or QSAR
Found 168 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 1


(Homo sapiens (Human))
BDBM50428439
PNG
(6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...)
Show SMILES COc1cc2ccc(=O)oc2c(OC)c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
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9.70n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428429
PNG
(FRAXINE)
Show SMILES COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Show InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1
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370n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428436
PNG
(CHEMBL1995684)
Show SMILES CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3
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600n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50421583
PNG
(GEIPARVARIN)
Show SMILES C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3/b12-8+
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600n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50206215
PNG
(7,8-Dihydroxy-6-methoxy-chromen-2-one | 7,8-dihydr...)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1O
Show InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
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610n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428434
PNG
(CHEMBL2334004)
Show SMILES COc1c(\C=C\C(C)=C)c2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:22|
Show InChI InChI=1S/C20H20O4/c1-12(2)6-7-13-17(22-5)15-10-11-20(3,4)24-19(15)14-8-9-16(21)23-18(13)14/h6-11H,1H2,2-5H3/b7-6+
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620n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428434
PNG
(CHEMBL2334004)
Show SMILES COc1c(\C=C\C(C)=C)c2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:22|
Show InChI InChI=1S/C20H20O4/c1-12(2)6-7-13-17(22-5)15-10-11-20(3,4)24-19(15)14-8-9-16(21)23-18(13)14/h6-11H,1H2,2-5H3/b7-6+
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650n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428422
PNG
(CHEMBL2334352)
Show SMILES COc1ccc2ccc(=O)oc2c1C(COC(=O)c1cccnc1)C(C)=C
Show InChI InChI=1S/C21H19NO5/c1-13(2)16(12-26-21(24)15-5-4-10-22-11-15)19-17(25-3)8-6-14-7-9-18(23)27-20(14)19/h4-11,16H,1,12H2,2-3H3
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670n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428433
PNG
(CHEMBL2003049)
Show SMILES C\C(CCC(=O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,22H,4,8,11H2,1-3H3/b13-10+
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700n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428432
PNG
(XANTHOXYLETIN)
Show SMILES COc1c2C=CC(C)(C)Oc2cc2oc(=O)ccc12 |c:4|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
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740n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428440
PNG
(5,7,8-Trimethoxycoumarin | CHEMBL596221)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-9(15-2)12(16-3)11-7(8)4-5-10(13)17-11/h4-6H,1-3H3
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760n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50379307
PNG
(AVICENNOL)
Show SMILES COc1c2C=CC(C)(C)Oc2c2ccc(=O)oc2c1\C=C\C(C)(C)O |c:4|
Show InChI InChI=1S/C20H22O5/c1-19(2,22)10-8-13-16(23-5)14-9-11-20(3,4)25-18(14)12-6-7-15(21)24-17(12)13/h6-11,22H,1-5H3/b10-8+
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770n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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770n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428428
PNG
(CHEMBL225024 | Scopolin)
Show SMILES COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
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780n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50379307
PNG
(AVICENNOL)
Show SMILES COc1c2C=CC(C)(C)Oc2c2ccc(=O)oc2c1\C=C\C(C)(C)O |c:4|
Show InChI InChI=1S/C20H22O5/c1-19(2,22)10-8-13-16(23-5)14-9-11-20(3,4)25-18(14)12-6-7-15(21)24-17(12)13/h6-11,22H,1-5H3/b10-8+
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780n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428434
PNG
(CHEMBL2334004)
Show SMILES COc1c(\C=C\C(C)=C)c2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:22|
Show InChI InChI=1S/C20H20O4/c1-12(2)6-7-13-17(22-5)15-10-11-20(3,4)24-19(15)14-8-9-16(21)23-18(13)14/h6-11H,1H2,2-5H3/b7-6+
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790n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428437
PNG
((+)-CALANOLIDE B)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
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810n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428437
PNG
((+)-CALANOLIDE B)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
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830n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428440
PNG
(5,7,8-Trimethoxycoumarin | CHEMBL596221)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-9(15-2)12(16-3)11-7(8)4-5-10(13)17-11/h4-6H,1-3H3
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830n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50421583
PNG
(GEIPARVARIN)
Show SMILES C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3/b12-8+
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830n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428438
PNG
(CHEMBL2331585)
Show SMILES COc1c(O)ccc2ccc(=O)oc12
Show InChI InChI=1S/C10H8O4/c1-13-10-7(11)4-2-6-3-5-8(12)14-9(6)10/h2-5,11H,1H3
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850n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428430
PNG
(CHEMBL2334351)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1OC
Show InChI InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
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850n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428421
PNG
(CHEMBL2334350)
Show SMILES COc1c2OC(C)(C)C=Cc2c(OC)c2ccc(=O)oc12 |c:8|
Show InChI InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3
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860n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428436
PNG
(CHEMBL1995684)
Show SMILES CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3
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890n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50156693
PNG
(6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...)
Show SMILES COc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
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960n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428432
PNG
(XANTHOXYLETIN)
Show SMILES COc1c2C=CC(C)(C)Oc2cc2oc(=O)ccc12 |c:4|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
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960n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428423
PNG
(CHEMBL2334357)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OS([O-])(=O)=O)cc3CCn2c2c1c1cc(O)c(OC)cc1oc2=O
Show InChI InChI=1S/C28H23NO11S/c1-36-19-5-4-14(8-17(19)30)24-25-16-10-18(31)21(37-2)12-20(16)39-28(32)27(25)29-7-6-13-9-23(40-41(33,34)35)22(38-3)11-15(13)26(24)29/h4-5,8-12,30-31H,6-7H2,1-3H3,(H,33,34,35)/p-1
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1.79E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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3.10E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428432
PNG
(XANTHOXYLETIN)
Show SMILES COc1c2C=CC(C)(C)Oc2cc2oc(=O)ccc12 |c:4|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
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3.15E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428425
PNG
(CHEMBL2334355)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(O)c3CCn2c2c1c1cc(OC)c(O)cc1oc2=O
Show InChI InChI=1S/C29H25NO9/c1-35-19-6-5-13(9-17(19)31)23-24-16-11-21(36-2)18(32)12-20(16)39-29(34)26(24)30-8-7-14-15(25(23)30)10-22(37-3)28(38-4)27(14)33/h5-6,9-12,31-33H,7-8H2,1-4H3
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3.22E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428423
PNG
(CHEMBL2334357)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OS([O-])(=O)=O)cc3CCn2c2c1c1cc(O)c(OC)cc1oc2=O
Show InChI InChI=1S/C28H23NO11S/c1-36-19-5-4-14(8-17(19)30)24-25-16-10-18(31)21(37-2)12-20(16)39-28(32)27(25)29-7-6-13-9-23(40-41(33,34)35)22(38-3)11-15(13)26(24)29/h4-5,8-12,30-31H,6-7H2,1-3H3,(H,33,34,35)/p-1
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3.27E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428440
PNG
(5,7,8-Trimethoxycoumarin | CHEMBL596221)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-9(15-2)12(16-3)11-7(8)4-5-10(13)17-11/h4-6H,1-3H3
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3.32E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428431
PNG
(ALLOXANTHOXYLETIN)
Show SMILES COc1cc2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:17|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-11(17-3)8-12-9(14(10)19-15)4-5-13(16)18-12/h4-8H,1-3H3
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3.50E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428433
PNG
(CHEMBL2003049)
Show SMILES C\C(CCC(=O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,22H,4,8,11H2,1-3H3/b13-10+
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3.69E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428424
PNG
(CHEMBL2334356)
Show SMILES COc1cc(ccc1O)-c1c2c(n3ccc4c(OC)c(OC)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21
Show InChI InChI=1S/C30H25NO9/c1-35-21-10-14(6-7-18(21)32)24-25-17-12-22(36-2)19(33)13-20(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-13,32-33H,1-5H3
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3.70E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428429
PNG
(FRAXINE)
Show SMILES COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Show InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1
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3.87E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428433
PNG
(CHEMBL2003049)
Show SMILES C\C(CCC(=O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,22H,4,8,11H2,1-3H3/b13-10+
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4.03E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50156693
PNG
(6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...)
Show SMILES COc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
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4.05E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428422
PNG
(CHEMBL2334352)
Show SMILES COc1ccc2ccc(=O)oc2c1C(COC(=O)c1cccnc1)C(C)=C
Show InChI InChI=1S/C21H19NO5/c1-13(2)16(12-26-21(24)15-5-4-10-22-11-15)19-17(25-3)8-6-14-7-9-18(23)27-20(14)19/h4-11,16H,1,12H2,2-3H3
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4.06E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50206008
PNG
(6-hydroxy-7-methoxy-2H-chromen-2-one | CHEMBL39032...)
Show SMILES COc1cc2oc(=O)ccc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
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4.14E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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4.24E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428439
PNG
(6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...)
Show SMILES COc1cc2ccc(=O)oc2c(OC)c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
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4.24E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428423
PNG
(CHEMBL2334357)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OS([O-])(=O)=O)cc3CCn2c2c1c1cc(O)c(OC)cc1oc2=O
Show InChI InChI=1S/C28H23NO11S/c1-36-19-5-4-14(8-17(19)30)24-25-16-10-18(31)21(37-2)12-20(16)39-28(32)27(25)29-7-6-13-9-23(40-41(33,34)35)22(38-3)11-15(13)26(24)29/h4-5,8-12,30-31H,6-7H2,1-3H3,(H,33,34,35)/p-1
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4.24E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428440
PNG
(5,7,8-Trimethoxycoumarin | CHEMBL596221)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-9(15-2)12(16-3)11-7(8)4-5-10(13)17-11/h4-6H,1-3H3
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4.31E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50206215
PNG
(7,8-Dihydroxy-6-methoxy-chromen-2-one | 7,8-dihydr...)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1O
Show InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
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4.32E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428438
PNG
(CHEMBL2331585)
Show SMILES COc1c(O)ccc2ccc(=O)oc12
Show InChI InChI=1S/C10H8O4/c1-13-10-7(11)4-2-6-3-5-8(12)14-9(6)10/h2-5,11H,1H3
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4.53E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428425
PNG
(CHEMBL2334355)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(O)c3CCn2c2c1c1cc(OC)c(O)cc1oc2=O
Show InChI InChI=1S/C29H25NO9/c1-35-19-6-5-13(9-17(19)31)23-24-16-11-21(36-2)18(32)12-20(16)39-29(34)26(24)30-8-7-14-15(25(23)30)10-22(37-3)28(38-4)27(14)33/h5-6,9-12,31-33H,7-8H2,1-4H3
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4.63E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50206215
PNG
(7,8-Dihydroxy-6-methoxy-chromen-2-one | 7,8-dihydr...)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1O
Show InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
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4.86E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428429
PNG
(FRAXINE)
Show SMILES COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Show InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1
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5.04E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50206008
PNG
(6-hydroxy-7-methoxy-2H-chromen-2-one | CHEMBL39032...)
Show SMILES COc1cc2oc(=O)ccc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
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5.27E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428430
PNG
(CHEMBL2334351)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1OC
Show InChI InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
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5.56E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428431
PNG
(ALLOXANTHOXYLETIN)
Show SMILES COc1cc2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:17|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-11(17-3)8-12-9(14(10)19-15)4-5-13(16)18-12/h4-8H,1-3H3
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5.60E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428422
PNG
(CHEMBL2334352)
Show SMILES COc1ccc2ccc(=O)oc2c1C(COC(=O)c1cccnc1)C(C)=C
Show InChI InChI=1S/C21H19NO5/c1-13(2)16(12-26-21(24)15-5-4-10-22-11-15)19-17(25-3)8-6-14-7-9-18(23)27-20(14)19/h4-11,16H,1,12H2,2-3H3
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5.84E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428431
PNG
(ALLOXANTHOXYLETIN)
Show SMILES COc1cc2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:17|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-11(17-3)8-12-9(14(10)19-15)4-5-13(16)18-12/h4-8H,1-3H3
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5.91E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428428
PNG
(CHEMBL225024 | Scopolin)
Show SMILES COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
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5.93E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428426
PNG
(CHEMBL2334354)
Show SMILES COc1cc2c3c(oc(=O)c4cc(OC)c(OC)c(oc2=O)c34)c1O
Show InChI InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3
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5.97E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428433
PNG
(CHEMBL2003049)
Show SMILES C\C(CCC(=O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,22H,4,8,11H2,1-3H3/b13-10+
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6.10E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428432
PNG
(XANTHOXYLETIN)
Show SMILES COc1c2C=CC(C)(C)Oc2cc2oc(=O)ccc12 |c:4|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
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6.27E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428424
PNG
(CHEMBL2334356)
Show SMILES COc1cc(ccc1O)-c1c2c(n3ccc4c(OC)c(OC)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21
Show InChI InChI=1S/C30H25NO9/c1-35-21-10-14(6-7-18(21)32)24-25-17-12-22(36-2)19(33)13-20(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-13,32-33H,1-5H3
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6.33E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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6.35E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428425
PNG
(CHEMBL2334355)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(O)c3CCn2c2c1c1cc(OC)c(O)cc1oc2=O
Show InChI InChI=1S/C29H25NO9/c1-35-19-6-5-13(9-17(19)31)23-24-16-11-21(36-2)18(32)12-20(16)39-29(34)26(24)30-8-7-14-15(25(23)30)10-22(37-3)28(38-4)27(14)33/h5-6,9-12,31-33H,7-8H2,1-4H3
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6.45E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428423
PNG
(CHEMBL2334357)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OS([O-])(=O)=O)cc3CCn2c2c1c1cc(O)c(OC)cc1oc2=O
Show InChI InChI=1S/C28H23NO11S/c1-36-19-5-4-14(8-17(19)30)24-25-16-10-18(31)21(37-2)12-20(16)39-28(32)27(25)29-7-6-13-9-23(40-41(33,34)35)22(38-3)11-15(13)26(24)29/h4-5,8-12,30-31H,6-7H2,1-3H3,(H,33,34,35)/p-1
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6.55E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428439
PNG
(6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...)
Show SMILES COc1cc2ccc(=O)oc2c(OC)c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
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6.58E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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6.92E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428440
PNG
(5,7,8-Trimethoxycoumarin | CHEMBL596221)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-9(15-2)12(16-3)11-7(8)4-5-10(13)17-11/h4-6H,1-3H3
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7.01E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428438
PNG
(CHEMBL2331585)
Show SMILES COc1c(O)ccc2ccc(=O)oc12
Show InChI InChI=1S/C10H8O4/c1-13-10-7(11)4-2-6-3-5-8(12)14-9(6)10/h2-5,11H,1H3
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7.26E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50206008
PNG
(6-hydroxy-7-methoxy-2H-chromen-2-one | CHEMBL39032...)
Show SMILES COc1cc2oc(=O)ccc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
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7.37E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428422
PNG
(CHEMBL2334352)
Show SMILES COc1ccc2ccc(=O)oc2c1C(COC(=O)c1cccnc1)C(C)=C
Show InChI InChI=1S/C21H19NO5/c1-13(2)16(12-26-21(24)15-5-4-10-22-11-15)19-17(25-3)8-6-14-7-9-18(23)27-20(14)19/h4-11,16H,1,12H2,2-3H3
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7.39E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428426
PNG
(CHEMBL2334354)
Show SMILES COc1cc2c3c(oc(=O)c4cc(OC)c(OC)c(oc2=O)c34)c1O
Show InChI InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3
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7.42E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428427
PNG
(CHEMBL1098016 | Murralongin)
Show SMILES [#6]-[#8]-c1ccc2ccc(=O)oc2c1\[#6](-[#6]=O)=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3
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7.44E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428429
PNG
(FRAXINE)
Show SMILES COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Show InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1
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7.45E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50292575
PNG
(8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one | CHEMB...)
Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
Show InChI InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
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7.51E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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7.52E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428434
PNG
(CHEMBL2334004)
Show SMILES COc1c(\C=C\C(C)=C)c2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:22|
Show InChI InChI=1S/C20H20O4/c1-12(2)6-7-13-17(22-5)15-10-11-20(3,4)24-19(15)14-8-9-16(21)23-18(13)14/h6-11H,1H2,2-5H3/b7-6+
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7.66E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50206215
PNG
(7,8-Dihydroxy-6-methoxy-chromen-2-one | 7,8-dihydr...)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1O
Show InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
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7.70E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428432
PNG
(XANTHOXYLETIN)
Show SMILES COc1c2C=CC(C)(C)Oc2cc2oc(=O)ccc12 |c:4|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
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7.71E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428433
PNG
(CHEMBL2003049)
Show SMILES C\C(CCC(=O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,22H,4,8,11H2,1-3H3/b13-10+
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7.81E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50421583
PNG
(GEIPARVARIN)
Show SMILES C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3/b12-8+
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7.82E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428430
PNG
(CHEMBL2334351)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1OC
Show InChI InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
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7.84E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428431
PNG
(ALLOXANTHOXYLETIN)
Show SMILES COc1cc2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:17|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-11(17-3)8-12-9(14(10)19-15)4-5-13(16)18-12/h4-8H,1-3H3
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8.11E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428427
PNG
(CHEMBL1098016 | Murralongin)
Show SMILES [#6]-[#8]-c1ccc2ccc(=O)oc2c1\[#6](-[#6]=O)=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3
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8.12E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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8.15E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428421
PNG
(CHEMBL2334350)
Show SMILES COc1c2OC(C)(C)C=Cc2c(OC)c2ccc(=O)oc12 |c:8|
Show InChI InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3
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8.35E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50292575
PNG
(8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one | CHEMB...)
Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
Show InChI InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
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8.36E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428428
PNG
(CHEMBL225024 | Scopolin)
Show SMILES COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
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8.43E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50379307
PNG
(AVICENNOL)
Show SMILES COc1c2C=CC(C)(C)Oc2c2ccc(=O)oc2c1\C=C\C(C)(C)O |c:4|
Show InChI InChI=1S/C20H22O5/c1-19(2,22)10-8-13-16(23-5)14-9-11-20(3,4)25-18(14)12-6-7-15(21)24-17(12)13/h6-11,22H,1-5H3/b10-8+
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8.46E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428424
PNG
(CHEMBL2334356)
Show SMILES COc1cc(ccc1O)-c1c2c(n3ccc4c(OC)c(OC)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21
Show InChI InChI=1S/C30H25NO9/c1-35-21-10-14(6-7-18(21)32)24-25-17-12-22(36-2)19(33)13-20(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-13,32-33H,1-5H3
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8.51E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428426
PNG
(CHEMBL2334354)
Show SMILES COc1cc2c3c(oc(=O)c4cc(OC)c(OC)c(oc2=O)c34)c1O
Show InChI InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3
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8.58E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50156693
PNG
(6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...)
Show SMILES COc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
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8.71E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428428
PNG
(CHEMBL225024 | Scopolin)
Show SMILES COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
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8.72E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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8.79E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428427
PNG
(CHEMBL1098016 | Murralongin)
Show SMILES [#6]-[#8]-c1ccc2ccc(=O)oc2c1\[#6](-[#6]=O)=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3
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8.85E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428437
PNG
((+)-CALANOLIDE B)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
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8.87E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428427
PNG
(CHEMBL1098016 | Murralongin)
Show SMILES [#6]-[#8]-c1ccc2ccc(=O)oc2c1\[#6](-[#6]=O)=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3
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8.89E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50379307
PNG
(AVICENNOL)
Show SMILES COc1c2C=CC(C)(C)Oc2c2ccc(=O)oc2c1\C=C\C(C)(C)O |c:4|
Show InChI InChI=1S/C20H22O5/c1-19(2,22)10-8-13-16(23-5)14-9-11-20(3,4)25-18(14)12-6-7-15(21)24-17(12)13/h6-11,22H,1-5H3/b10-8+
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8.98E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428436
PNG
(CHEMBL1995684)
Show SMILES CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3
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9.03E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428425
PNG
(CHEMBL2334355)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(O)c3CCn2c2c1c1cc(OC)c(O)cc1oc2=O
Show InChI InChI=1S/C29H25NO9/c1-35-19-6-5-13(9-17(19)31)23-24-16-11-21(36-2)18(32)12-20(16)39-29(34)26(24)30-8-7-14-15(25(23)30)10-22(37-3)28(38-4)27(14)33/h5-6,9-12,31-33H,7-8H2,1-4H3
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9.07E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428431
PNG
(ALLOXANTHOXYLETIN)
Show SMILES COc1cc2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:17|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-11(17-3)8-12-9(14(10)19-15)4-5-13(16)18-12/h4-8H,1-3H3
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9.10E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428428
PNG
(CHEMBL225024 | Scopolin)
Show SMILES COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
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9.11E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428427
PNG
(CHEMBL1098016 | Murralongin)
Show SMILES [#6]-[#8]-c1ccc2ccc(=O)oc2c1\[#6](-[#6]=O)=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3
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9.11E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428438
PNG
(CHEMBL2331585)
Show SMILES COc1c(O)ccc2ccc(=O)oc12
Show InChI InChI=1S/C10H8O4/c1-13-10-7(11)4-2-6-3-5-8(12)14-9(6)10/h2-5,11H,1H3
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9.12E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50292575
PNG
(8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one | CHEMB...)
Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
Show InChI InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
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9.18E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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9.20E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428421
PNG
(CHEMBL2334350)
Show SMILES COc1c2OC(C)(C)C=Cc2c(OC)c2ccc(=O)oc12 |c:8|
Show InChI InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3
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9.21E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428439
PNG
(6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...)
Show SMILES COc1cc2ccc(=O)oc2c(OC)c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
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9.28E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428437
PNG
((+)-CALANOLIDE B)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
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9.31E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428421
PNG
(CHEMBL2334350)
Show SMILES COc1c2OC(C)(C)C=Cc2c(OC)c2ccc(=O)oc12 |c:8|
Show InChI InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3
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9.31E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50421583
PNG
(GEIPARVARIN)
Show SMILES C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3/b12-8+
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9.62E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428440
PNG
(5,7,8-Trimethoxycoumarin | CHEMBL596221)
Show SMILES COc1cc(OC)c2ccc(=O)oc2c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-9(15-2)12(16-3)11-7(8)4-5-10(13)17-11/h4-6H,1-3H3
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9.65E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50206215
PNG
(7,8-Dihydroxy-6-methoxy-chromen-2-one | 7,8-dihydr...)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1O
Show InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
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9.73E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50421583
PNG
(GEIPARVARIN)
Show SMILES C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3/b12-8+
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9.75E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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9.75E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428429
PNG
(FRAXINE)
Show SMILES COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Show InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1
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9.80E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428430
PNG
(CHEMBL2334351)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1OC
Show InChI InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
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9.89E+3n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50156693
PNG
(6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...)
Show SMILES COc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
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1.06E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50206008
PNG
(6-hydroxy-7-methoxy-2H-chromen-2-one | CHEMBL39032...)
Show SMILES COc1cc2oc(=O)ccc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
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1.40E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428425
PNG
(CHEMBL2334355)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(O)c3CCn2c2c1c1cc(OC)c(O)cc1oc2=O
Show InChI InChI=1S/C29H25NO9/c1-35-19-6-5-13(9-17(19)31)23-24-16-11-21(36-2)18(32)12-20(16)39-29(34)26(24)30-8-7-14-15(25(23)30)10-22(37-3)28(38-4)27(14)33/h5-6,9-12,31-33H,7-8H2,1-4H3
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1.45E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428426
PNG
(CHEMBL2334354)
Show SMILES COc1cc2c3c(oc(=O)c4cc(OC)c(OC)c(oc2=O)c34)c1O
Show InChI InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3
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1.74E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50156693
PNG
(6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...)
Show SMILES COc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
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1.78E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50428439
PNG
(6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...)
Show SMILES COc1cc2ccc(=O)oc2c(OC)c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
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1.82E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428437
PNG
((+)-CALANOLIDE B)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
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2.10E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50292575
PNG
(8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one | CHEMB...)
Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
Show InChI InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
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2.15E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50206008
PNG
(6-hydroxy-7-methoxy-2H-chromen-2-one | CHEMBL39032...)
Show SMILES COc1cc2oc(=O)ccc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
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2.38E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50292575
PNG
(8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one | CHEMB...)
Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
Show InChI InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
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2.57E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428436
PNG
(CHEMBL1995684)
Show SMILES CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3
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2.74E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50379307
PNG
(AVICENNOL)
Show SMILES COc1c2C=CC(C)(C)Oc2c2ccc(=O)oc2c1\C=C\C(C)(C)O |c:4|
Show InChI InChI=1S/C20H22O5/c1-19(2,22)10-8-13-16(23-5)14-9-11-20(3,4)25-18(14)12-6-7-15(21)24-17(12)13/h6-11,22H,1-5H3/b10-8+
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2.93E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428438
PNG
(CHEMBL2331585)
Show SMILES COc1c(O)ccc2ccc(=O)oc12
Show InChI InChI=1S/C10H8O4/c1-13-10-7(11)4-2-6-3-5-8(12)14-9(6)10/h2-5,11H,1H3
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3.64E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428424
PNG
(CHEMBL2334356)
Show SMILES COc1cc(ccc1O)-c1c2c(n3ccc4c(OC)c(OC)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21
Show InChI InChI=1S/C30H25NO9/c1-35-21-10-14(6-7-18(21)32)24-25-17-12-22(36-2)19(33)13-20(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-13,32-33H,1-5H3
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4.01E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428426
PNG
(CHEMBL2334354)
Show SMILES COc1cc2c3c(oc(=O)c4cc(OC)c(OC)c(oc2=O)c34)c1O
Show InChI InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3
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4.41E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428434
PNG
(CHEMBL2334004)
Show SMILES COc1c(\C=C\C(C)=C)c2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:22|
Show InChI InChI=1S/C20H20O4/c1-12(2)6-7-13-17(22-5)15-10-11-20(3,4)24-19(15)14-8-9-16(21)23-18(13)14/h6-11H,1H2,2-5H3/b7-6+
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4.50E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428421
PNG
(CHEMBL2334350)
Show SMILES COc1c2OC(C)(C)C=Cc2c(OC)c2ccc(=O)oc12 |c:8|
Show InChI InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3
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4.93E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428437
PNG
((+)-CALANOLIDE B)
Show SMILES CCCc1cc(=O)oc2c3[C@H](O)[C@H](C)[C@@H](C)Oc3c3C=CC(C)(C)Oc3c12 |c:20|
Show InChI InChI=1S/C22H26O5/c1-6-7-13-10-15(23)26-21-16(13)20-14(8-9-22(4,5)27-20)19-17(21)18(24)11(2)12(3)25-19/h8-12,18,24H,6-7H2,1-5H3/t11-,12-,18-/m1/s1
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5.07E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428424
PNG
(CHEMBL2334356)
Show SMILES COc1cc(ccc1O)-c1c2c(n3ccc4c(OC)c(OC)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21
Show InChI InChI=1S/C30H25NO9/c1-35-21-10-14(6-7-18(21)32)24-25-17-12-22(36-2)19(33)13-20(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-13,32-33H,1-5H3
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5.83E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428436
PNG
(CHEMBL1995684)
Show SMILES CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3
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5.92E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428436
PNG
(CHEMBL1995684)
Show SMILES CC(CCOc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H20O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-7,10-12H,8-9H2,1-3H3
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6.34E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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6.82E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428423
PNG
(CHEMBL2334357)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OS([O-])(=O)=O)cc3CCn2c2c1c1cc(O)c(OC)cc1oc2=O
Show InChI InChI=1S/C28H23NO11S/c1-36-19-5-4-14(8-17(19)30)24-25-16-10-18(31)21(37-2)12-20(16)39-28(32)27(25)29-7-6-13-9-23(40-41(33,34)35)22(38-3)11-15(13)26(24)29/h4-5,8-12,30-31H,6-7H2,1-3H3,(H,33,34,35)/p-1
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7.84E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428435
PNG
(CHEMBL2334353)
Show SMILES C\C(CO)=C/Cc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C14H14O4/c1-9(8-15)2-3-10-6-11-4-5-14(17)18-13(11)7-12(10)16/h2,4-7,15-16H,3,8H2,1H3/b9-2+
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7.89E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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7.98E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50206215
PNG
(7,8-Dihydroxy-6-methoxy-chromen-2-one | 7,8-dihydr...)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1O
Show InChI InChI=1S/C10H8O5/c1-14-6-4-5-2-3-7(11)15-10(5)9(13)8(6)12/h2-4,12-13H,1H3
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9.43E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428430
PNG
(CHEMBL2334351)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1OC
Show InChI InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
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9.57E+4n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428438
PNG
(CHEMBL2331585)
Show SMILES COc1c(O)ccc2ccc(=O)oc12
Show InChI InChI=1S/C10H8O4/c1-13-10-7(11)4-2-6-3-5-8(12)14-9(6)10/h2-5,11H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50156693
PNG
(6-Methoxy-7-hydroxycoumarin | 6-Methylesculetin | ...)
Show SMILES COc1cc2ccc(=O)oc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428428
PNG
(CHEMBL225024 | Scopolin)
Show SMILES COc1cc2ccc(=O)oc2cc1O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM4078
PNG
(6,7,13,14-tetrahydroxy-2,9-dioxatetracyclo[6.6.2.0...)
Show SMILES Oc1cc2c3c(oc(=O)c4cc(O)c(O)c(oc2=O)c34)c1O
Show InChI InChI=1S/C14H6O8/c15-5-1-3-7-8-4(14(20)22-11(7)9(5)17)2-6(16)10(18)12(8)21-13(3)19/h1-2,15-18H
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM50428421
PNG
(CHEMBL2334350)
Show SMILES COc1c2OC(C)(C)C=Cc2c(OC)c2ccc(=O)oc12 |c:8|
Show InChI InChI=1S/C16H16O5/c1-16(2)8-7-10-12(18-3)9-5-6-11(17)20-13(9)15(19-4)14(10)21-16/h5-8H,1-4H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428429
PNG
(FRAXINE)
Show SMILES COc1cc2ccc(=O)oc2c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)c1O
Show InChI InChI=1S/C16H18O10/c1-23-7-4-6-2-3-9(18)25-14(6)15(11(7)20)26-16-13(22)12(21)10(19)8(5-17)24-16/h2-4,8,10,12-13,16-17,19-22H,5H2,1H3/t8-,10-,12+,13-,16+/m1/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428423
PNG
(CHEMBL2334357)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OS([O-])(=O)=O)cc3CCn2c2c1c1cc(O)c(OC)cc1oc2=O
Show InChI InChI=1S/C28H23NO11S/c1-36-19-5-4-14(8-17(19)30)24-25-16-10-18(31)21(37-2)12-20(16)39-28(32)27(25)29-7-6-13-9-23(40-41(33,34)35)22(38-3)11-15(13)26(24)29/h4-5,8-12,30-31H,6-7H2,1-3H3,(H,33,34,35)/p-1
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50379307
PNG
(AVICENNOL)
Show SMILES COc1c2C=CC(C)(C)Oc2c2ccc(=O)oc2c1\C=C\C(C)(C)O |c:4|
Show InChI InChI=1S/C20H22O5/c1-19(2,22)10-8-13-16(23-5)14-9-11-20(3,4)25-18(14)12-6-7-15(21)24-17(12)13/h6-11,22H,1-5H3/b10-8+
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50421583
PNG
(GEIPARVARIN)
Show SMILES C\C(=C/COc1ccc2ccc(=O)oc2c1)C1=CC(=O)C(C)(C)O1 |t:18|
Show InChI InChI=1S/C19H18O5/c1-12(15-11-17(20)19(2,3)24-15)8-9-22-14-6-4-13-5-7-18(21)23-16(13)10-14/h4-8,10-11H,9H2,1-3H3/b12-8+
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428427
PNG
(CHEMBL1098016 | Murralongin)
Show SMILES [#6]-[#8]-c1ccc2ccc(=O)oc2c1\[#6](-[#6]=O)=[#6](\[#6])-[#6]
Show InChI InChI=1S/C15H14O4/c1-9(2)11(8-16)14-12(18-3)6-4-10-5-7-13(17)19-15(10)14/h4-8H,1-3H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428424
PNG
(CHEMBL2334356)
Show SMILES COc1cc(ccc1O)-c1c2c(n3ccc4c(OC)c(OC)c(OC)cc4c13)c(=O)oc1cc(O)c(OC)cc21
Show InChI InChI=1S/C30H25NO9/c1-35-21-10-14(6-7-18(21)32)24-25-17-12-22(36-2)19(33)13-20(17)40-30(34)27(25)31-9-8-15-16(26(24)31)11-23(37-3)29(39-5)28(15)38-4/h6-13,32-33H,1-5H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428426
PNG
(CHEMBL2334354)
Show SMILES COc1cc2c3c(oc(=O)c4cc(OC)c(OC)c(oc2=O)c34)c1O
Show InChI InChI=1S/C17H12O8/c1-21-8-4-6-10-11-7(16(19)24-14(10)12(8)18)5-9(22-2)13(23-3)15(11)25-17(6)20/h4-5,18H,1-3H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50292575
PNG
(8,8-Dimethyl-8H-pyrano[3,2-g]chromen-2-one | CHEMB...)
Show SMILES CC1(C)Oc2cc3oc(=O)ccc3cc2C=C1 |c:17|
Show InChI InChI=1S/C14H12O3/c1-14(2)6-5-10-7-9-3-4-13(15)16-11(9)8-12(10)17-14/h3-8H,1-2H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428432
PNG
(XANTHOXYLETIN)
Show SMILES COc1c2C=CC(C)(C)Oc2cc2oc(=O)ccc12 |c:4|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-12(19-15)8-11-9(14(10)17-3)4-5-13(16)18-11/h4-8H,1-3H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428434
PNG
(CHEMBL2334004)
Show SMILES COc1c(\C=C\C(C)=C)c2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:22|
Show InChI InChI=1S/C20H20O4/c1-12(2)6-7-13-17(22-5)15-10-11-20(3,4)24-19(15)14-8-9-16(21)23-18(13)14/h6-11H,1H2,2-5H3/b7-6+
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428431
PNG
(ALLOXANTHOXYLETIN)
Show SMILES COc1cc2oc(=O)ccc2c2OC(C)(C)C=Cc12 |c:17|
Show InChI InChI=1S/C15H14O4/c1-15(2)7-6-10-11(17-3)8-12-9(14(10)19-15)4-5-13(16)18-12/h4-8H,1-3H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428430
PNG
(CHEMBL2334351)
Show SMILES COc1cc2ccc(=O)oc2c(O)c1OC
Show InChI InChI=1S/C11H10O5/c1-14-7-5-6-3-4-8(12)16-10(6)9(13)11(7)15-2/h3-5,13H,1-2H3
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>1.00E+5n/an/an/an/an/an/an/an/a



Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428433
PNG
(CHEMBL2003049)
Show SMILES C\C(CCC(=O)C(C)(C)O)=C/COc1ccc2ccc(=O)oc2c1
Show InChI InChI=1S/C19H22O5/c1-13(4-8-17(20)19(2,3)22)10-11-23-15-7-5-14-6-9-18(21)24-16(14)12-15/h5-7,9-10,12,22H,4,8,11H2,1-3H3/b13-10+
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428422
PNG
(CHEMBL2334352)
Show SMILES COc1ccc2ccc(=O)oc2c1C(COC(=O)c1cccnc1)C(C)=C
Show InChI InChI=1S/C21H19NO5/c1-13(2)16(12-26-21(24)15-5-4-10-22-11-15)19-17(25-3)8-6-14-7-9-18(23)27-20(14)19/h4-11,16H,1,12H2,2-3H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM50428422
PNG
(CHEMBL2334352)
Show SMILES COc1ccc2ccc(=O)oc2c1C(COC(=O)c1cccnc1)C(C)=C
Show InChI InChI=1S/C21H19NO5/c1-13(2)16(12-26-21(24)15-5-4-10-22-11-15)19-17(25-3)8-6-14-7-9-18(23)27-20(14)19/h4-11,16H,1,12H2,2-3H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50206008
PNG
(6-hydroxy-7-methoxy-2H-chromen-2-one | CHEMBL39032...)
Show SMILES COc1cc2oc(=O)ccc2cc1O
Show InChI InChI=1S/C10H8O4/c1-13-9-5-8-6(4-7(9)11)2-3-10(12)14-8/h2-5,11H,1H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428439
PNG
(6,7,8,-Trimethoxycoumarin | 6,7,8-Trimethoxycoumar...)
Show SMILES COc1cc2ccc(=O)oc2c(OC)c1OC
Show InChI InChI=1S/C12H12O5/c1-14-8-6-7-4-5-9(13)17-10(7)12(16-3)11(8)15-2/h4-6H,1-3H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428425
PNG
(CHEMBL2334355)
Show SMILES COc1ccc(cc1O)-c1c2-c3cc(OC)c(OC)c(O)c3CCn2c2c1c1cc(OC)c(O)cc1oc2=O
Show InChI InChI=1S/C29H25NO9/c1-35-19-6-5-13(9-17(19)31)23-24-16-11-21(36-2)18(32)12-20(16)39-29(34)26(24)30-8-7-14-15(25(23)30)10-22(37-3)28(38-4)27(14)33/h5-6,9-12,31-33H,7-8H2,1-4H3
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 7


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
Carbonic anhydrase 13 (CA XIII)


(Homo sapiens (Human))
BDBM12342
PNG
(2H-chromen-2-one | CHEMBL6466 | Coumarin)
Show SMILES O=c1ccc2ccccc2o1
Show InChI InChI=1S/C9H6O2/c10-9-6-5-7-3-1-2-4-8(7)11-9/h1-6H
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Griffith University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 1539-43 (2013)


Article DOI: 10.1016/j.bmc.2012.07.021
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%