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PubMed code 22901388

Compile data set for download or QSAR
Found 76 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 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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6n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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12n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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25n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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38n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390681
PNG
(CHEMBL2070207)
Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c1-2-17-8-10(9-5-3-4-6-13(9)17)11-7-12(14(18)19)16-15-11/h3-8H,2H2,1H3,(H,15,16)(H,18,19)
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42n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390677
PNG
(CHEMBL41028)
Show SMILES OC(C(O)=O)C(=O)C(O)=O
Show InChI InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)
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45n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390686
PNG
(CHEMBL2070212)
Show SMILES COC(=O)C(=O)C1C(=O)N(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO4/c1-22-17(21)15(19)14-12-9-5-6-10-13(12)18(16(14)20)11-7-3-2-4-8-11/h2-10,14H,1H3
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49n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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50n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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50n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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250n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390684
PNG
(CHEMBL2070210)
Show SMILES OC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C10H7NO4/c12-8(10(14)15)7-5-3-1-2-4-6(5)11-9(7)13/h1-4,7H,(H,11,13)(H,14,15)
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480n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390691
PNG
(CHEMBL2070213)
Show SMILES CCn1cc(C2C(=O)NC(=O)C2=O)c2ccccc12
Show InChI InChI=1S/C14H12N2O3/c1-2-16-7-9(8-5-3-4-6-10(8)16)11-12(17)14(19)15-13(11)18/h3-7,11H,2H2,1H3,(H,15,18,19)
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630n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50184624
PNG
(6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES COc1ccccc1C(=O)CC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5H,6-7H2,1H3,(H,17,18)
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720n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50184624
PNG
(6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES COc1ccccc1C(=O)CC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5H,6-7H2,1H3,(H,17,18)
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770n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390685
PNG
(CHEMBL2070211)
Show SMILES COC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H9NO4/c1-16-11(15)9(13)8-6-4-2-3-5-7(6)12-10(8)14/h2-5,8H,1H3,(H,12,14)
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1.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390683
PNG
(CHEMBL2070209)
Show SMILES COC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H17N3O2/c1-25-20(24)18-11-17(21-22-18)16-13-23(12-14-7-3-2-4-8-14)19-10-6-5-9-15(16)19/h2-11,13H,12H2,1H3,(H,21,22)
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1.19E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390680
PNG
(CHEMBL2070206)
Show SMILES COC(=O)C(=O)CC(=O)CC(=O)c1ccccc1OC
Show InChI InChI=1S/C14H14O6/c1-19-13-6-4-3-5-10(13)11(16)7-9(15)8-12(17)14(18)20-2/h3-6H,7-8H2,1-2H3
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50337278
PNG
(2-(phenylamino)benzoic acid | 2-Phenylamino-benzoi...)
Show SMILES OC(=O)c1ccccc1Nc1ccccc1
Show InChI InChI=1S/C13H11NO2/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9,14H,(H,15,16)
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1.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390687
PNG
(CHEMBL2070202)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N2O3/c19-14-7-11-6-13(18-12(11)8-15(14)20)16(21)17-9-10-4-2-1-3-5-10/h1-8,18-20H,9H2,(H,17,21)
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1.45E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390683
PNG
(CHEMBL2070209)
Show SMILES COC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H17N3O2/c1-25-20(24)18-11-17(21-22-18)16-13-23(12-14-7-3-2-4-8-14)19-10-6-5-9-15(16)19/h2-11,13H,12H2,1H3,(H,21,22)
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1.65E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390688
PNG
(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
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1.85E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50154408
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
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1.93E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM23399
PNG
(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
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2.65E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50154408
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
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2.78E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390688
PNG
(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
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3.02E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390682
PNG
(CHEMBL2070208)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
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3.24E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50190612
PNG
((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...)
Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3
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3.27E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50115579
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
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3.35E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390687
PNG
(CHEMBL2070202)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N2O3/c19-14-7-11-6-13(18-12(11)8-15(14)20)16(21)17-9-10-4-2-1-3-5-10/h1-8,18-20H,9H2,(H,17,21)
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3.60E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390682
PNG
(CHEMBL2070208)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
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3.62E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50184624
PNG
(6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES COc1ccccc1C(=O)CC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5H,6-7H2,1H3,(H,17,18)
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4.02E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390686
PNG
(CHEMBL2070212)
Show SMILES COC(=O)C(=O)C1C(=O)N(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO4/c1-22-17(21)15(19)14-12-9-5-6-10-13(12)18(16(14)20)11-7-3-2-4-8-11/h2-10,14H,1H3
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4.14E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50115579
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
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4.30E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50184624
PNG
(6-(2-methoxyphenyl)-2,4,6-trioxohexanoic acid | CH...)
Show SMILES COc1ccccc1C(=O)CC(=O)CC(=O)C(O)=O
Show InChI InChI=1S/C13H12O6/c1-19-12-5-3-2-4-9(12)10(15)6-8(14)7-11(16)13(17)18/h2-5H,6-7H2,1H3,(H,17,18)
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4.35E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390684
PNG
(CHEMBL2070210)
Show SMILES OC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C10H7NO4/c12-8(10(14)15)7-5-3-1-2-4-6(5)11-9(7)13/h1-4,7H,(H,11,13)(H,14,15)
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4.36E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390677
PNG
(CHEMBL41028)
Show SMILES OC(C(O)=O)C(=O)C(O)=O
Show InChI InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)
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4.41E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390680
PNG
(CHEMBL2070206)
Show SMILES COC(=O)C(=O)CC(=O)CC(=O)c1ccccc1OC
Show InChI InChI=1S/C14H14O6/c1-19-13-6-4-3-5-10(13)11(16)7-9(15)8-12(17)14(18)20-2/h3-6H,7-8H2,1-2H3
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4.55E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390686
PNG
(CHEMBL2070212)
Show SMILES COC(=O)C(=O)C1C(=O)N(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO4/c1-22-17(21)15(19)14-12-9-5-6-10-13(12)18(16(14)20)11-7-3-2-4-8-11/h2-10,14H,1H3
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5.03E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM23399
PNG
(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
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5.07E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390678
PNG
(CHEMBL2070204)
Show SMILES CC(=O)c1c(C(O)=O)n(C)c2cc3OCOc3cc12
Show InChI InChI=1S/C13H11NO5/c1-6(15)11-7-3-9-10(19-5-18-9)4-8(7)14(2)12(11)13(16)17/h3-4H,5H2,1-2H3,(H,16,17)
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5.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50190612
PNG
((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...)
Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3
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5.53E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390682
PNG
(CHEMBL2070208)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
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6.12E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390682
PNG
(CHEMBL2070208)
Show SMILES OC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15N3O2/c23-19(24)17-10-16(20-21-17)15-12-22(11-13-6-2-1-3-7-13)18-9-5-4-8-14(15)18/h1-10,12H,11H2,(H,20,21)(H,23,24)
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6.20E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390691
PNG
(CHEMBL2070213)
Show SMILES CCn1cc(C2C(=O)NC(=O)C2=O)c2ccccc12
Show InChI InChI=1S/C14H12N2O3/c1-2-16-7-9(8-5-3-4-6-10(8)16)11-12(17)14(19)15-13(11)18/h3-7,11H,2H2,1H3,(H,15,18,19)
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6.65E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390677
PNG
(CHEMBL41028)
Show SMILES OC(C(O)=O)C(=O)C(O)=O
Show InChI InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)
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6.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50115579
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
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6.79E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50190612
PNG
((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...)
Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3
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6.86E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM23399
PNG
(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
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6.93E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390685
PNG
(CHEMBL2070211)
Show SMILES COC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H9NO4/c1-16-11(15)9(13)8-6-4-2-3-5-7(6)12-10(8)14/h2-5,8H,1H3,(H,12,14)
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6.96E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390680
PNG
(CHEMBL2070206)
Show SMILES COC(=O)C(=O)CC(=O)CC(=O)c1ccccc1OC
Show InChI InChI=1S/C14H14O6/c1-19-13-6-4-3-5-10(13)11(16)7-9(15)8-12(17)14(18)20-2/h3-6H,7-8H2,1-2H3
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7.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390677
PNG
(CHEMBL41028)
Show SMILES OC(C(O)=O)C(=O)C(O)=O
Show InChI InChI=1S/C4H4O6/c5-1(3(7)8)2(6)4(9)10/h1,5H,(H,7,8)(H,9,10)
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7.15E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390678
PNG
(CHEMBL2070204)
Show SMILES CC(=O)c1c(C(O)=O)n(C)c2cc3OCOc3cc12
Show InChI InChI=1S/C13H11NO5/c1-6(15)11-7-3-9-10(19-5-18-9)4-8(7)14(2)12(11)13(16)17/h3-4H,5H2,1-2H3,(H,16,17)
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7.50E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390691
PNG
(CHEMBL2070213)
Show SMILES CCn1cc(C2C(=O)NC(=O)C2=O)c2ccccc12
Show InChI InChI=1S/C14H12N2O3/c1-2-16-7-9(8-5-3-4-6-10(8)16)11-12(17)14(19)15-13(11)18/h3-7,11H,2H2,1H3,(H,15,18,19)
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7.53E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390680
PNG
(CHEMBL2070206)
Show SMILES COC(=O)C(=O)CC(=O)CC(=O)c1ccccc1OC
Show InChI InChI=1S/C14H14O6/c1-19-13-6-4-3-5-10(13)11(16)7-9(15)8-12(17)14(18)20-2/h3-6H,7-8H2,1-2H3
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7.57E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50154408
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
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7.64E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390684
PNG
(CHEMBL2070210)
Show SMILES OC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C10H7NO4/c12-8(10(14)15)7-5-3-1-2-4-6(5)11-9(7)13/h1-4,7H,(H,11,13)(H,14,15)
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7.68E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50115579
PNG
((Z)-2-hydroxy-4-oxo-4-phenyl-but-2-enoic acid | 2-...)
Show SMILES OC(=O)C(=O)CC(=O)c1ccccc1
Show InChI InChI=1S/C10H8O4/c11-8(6-9(12)10(13)14)7-4-2-1-3-5-7/h1-5H,6H2,(H,13,14)
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7.75E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390681
PNG
(CHEMBL2070207)
Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c1-2-17-8-10(9-5-3-4-6-13(9)17)11-7-12(14(18)19)16-15-11/h3-8H,2H2,1H3,(H,15,16)(H,18,19)
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7.78E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390681
PNG
(CHEMBL2070207)
Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c1-2-17-8-10(9-5-3-4-6-13(9)17)11-7-12(14(18)19)16-15-11/h3-8H,2H2,1H3,(H,15,16)(H,18,19)
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7.79E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM23399
PNG
(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)
Show SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C15H12FNO4/c16-11-5-3-10(4-6-11)9-17-7-1-2-12(17)13(18)8-14(19)15(20)21/h1-7H,8-9H2,(H,20,21)
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7.94E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390685
PNG
(CHEMBL2070211)
Show SMILES COC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H9NO4/c1-16-11(15)9(13)8-6-4-2-3-5-7(6)12-10(8)14/h2-5,8H,1H3,(H,12,14)
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8.02E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390686
PNG
(CHEMBL2070212)
Show SMILES COC(=O)C(=O)C1C(=O)N(c2ccccc12)c1ccccc1
Show InChI InChI=1S/C17H13NO4/c1-22-17(21)15(19)14-12-9-5-6-10-13(12)18(16(14)20)11-7-3-2-4-8-11/h2-10,14H,1H3
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8.05E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50154408
PNG
((Z)-4-(1-Benzyl-1H-indol-3-yl)-2-hydroxy-4-oxo-but...)
Show SMILES OC(=O)C(=O)CC(=O)c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C19H15NO4/c21-17(10-18(22)19(23)24)15-12-20(11-13-6-2-1-3-7-13)16-9-5-4-8-14(15)16/h1-9,12H,10-11H2,(H,23,24)
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8.28E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50190612
PNG
((2Z)-4-[1-(4-fluoro-benzyl)-1H-pyrrol-2-yl]-2-hydr...)
Show SMILES COC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
Show InChI InChI=1S/C16H14FNO4/c1-22-16(21)15(20)9-14(19)13-3-2-8-18(13)10-11-4-6-12(17)7-5-11/h2-8H,9-10H2,1H3
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8.51E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390691
PNG
(CHEMBL2070213)
Show SMILES CCn1cc(C2C(=O)NC(=O)C2=O)c2ccccc12
Show InChI InChI=1S/C14H12N2O3/c1-2-16-7-9(8-5-3-4-6-10(8)16)11-12(17)14(19)15-13(11)18/h3-7,11H,2H2,1H3,(H,15,18,19)
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8.66E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390683
PNG
(CHEMBL2070209)
Show SMILES COC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H17N3O2/c1-25-20(24)18-11-17(21-22-18)16-13-23(12-14-7-3-2-4-8-14)19-10-6-5-9-15(16)19/h2-11,13H,12H2,1H3,(H,21,22)
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9.24E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390688
PNG
(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
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9.24E+3n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390683
PNG
(CHEMBL2070209)
Show SMILES COC(=O)c1cc(n[nH]1)-c1cn(Cc2ccccc2)c2ccccc12
Show InChI InChI=1S/C20H17N3O2/c1-25-20(24)18-11-17(21-22-18)16-13-23(12-14-7-3-2-4-8-14)19-10-6-5-9-15(16)19/h2-11,13H,12H2,1H3,(H,21,22)
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1.28E+4n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390678
PNG
(CHEMBL2070204)
Show SMILES CC(=O)c1c(C(O)=O)n(C)c2cc3OCOc3cc12
Show InChI InChI=1S/C13H11NO5/c1-6(15)11-7-3-9-10(19-5-18-9)4-8(7)14(2)12(11)13(16)17/h3-4H,5H2,1-2H3,(H,16,17)
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1.39E+4n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50390687
PNG
(CHEMBL2070202)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N2O3/c19-14-7-11-6-13(18-12(11)8-15(14)20)16(21)17-9-10-4-2-1-3-5-10/h1-8,18-20H,9H2,(H,17,21)
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1.43E+4n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390688
PNG
(CHEMBL2070214)
Show SMILES Oc1ccc(CCNC(=O)c2cc3cc(O)c(O)cc3[nH]2)cc1O
Show InChI InChI=1S/C17H16N2O5/c20-13-2-1-9(5-14(13)21)3-4-18-17(24)12-6-10-7-15(22)16(23)8-11(10)19-12/h1-2,5-8,19-23H,3-4H2,(H,18,24)
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1.51E+4n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390687
PNG
(CHEMBL2070202)
Show SMILES Oc1cc2cc([nH]c2cc1O)C(=O)NCc1ccccc1
Show InChI InChI=1S/C16H14N2O3/c19-14-7-11-6-13(18-12(11)8-15(14)20)16(21)17-9-10-4-2-1-3-5-10/h1-8,18-20H,9H2,(H,17,21)
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1.62E+4n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50390678
PNG
(CHEMBL2070204)
Show SMILES CC(=O)c1c(C(O)=O)n(C)c2cc3OCOc3cc12
Show InChI InChI=1S/C13H11NO5/c1-6(15)11-7-3-9-10(19-5-18-9)4-8(7)14(2)12(11)13(16)17/h3-4H,5H2,1-2H3,(H,16,17)
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1.67E+4n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390685
PNG
(CHEMBL2070211)
Show SMILES COC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C11H9NO4/c1-16-11(15)9(13)8-6-4-2-3-5-7(6)12-10(8)14/h2-5,8H,1H3,(H,12,14)
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2.85E+4n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50390684
PNG
(CHEMBL2070210)
Show SMILES OC(=O)C(=O)C1C(=O)Nc2ccccc12
Show InChI InChI=1S/C10H7NO4/c12-8(10(14)15)7-5-3-1-2-4-6(5)11-9(7)13/h1-4,7H,(H,11,13)(H,14,15)
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3.80E+4n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50390681
PNG
(CHEMBL2070207)
Show SMILES CCn1cc(-c2cc([nH]n2)C(O)=O)c2ccccc12
Show InChI InChI=1S/C14H13N3O2/c1-2-17-8-10(9-5-3-4-6-13(9)17)11-7-12(14(18)19)16-15-11/h3-8H,2H2,1H3,(H,15,16)(H,18,19)
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1.82E+6n/an/an/an/an/an/an/an/a



Universit£ di Sassari

Curated by ChEMBL


Assay Description
Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique


Bioorg Med Chem Lett 22: 5801-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.07.094
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%