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PubMed code 27939347

Compile data set for download or QSAR
Found 52 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


(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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5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207542
PNG
(CHEMBL3986431)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
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6.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207549
PNG
(CHEMBL3928695)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
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8.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207548
PNG
(CHEMBL3977549)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
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8.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207543
PNG
(CHEMBL3956977)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)ccc12
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10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207540
PNG
(CHEMBL3896854)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207542
PNG
(CHEMBL3986431)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
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11n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207547
PNG
(CHEMBL3960492)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
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12n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
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£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207543
PNG
(CHEMBL3956977)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)ccc12
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15n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207548
PNG
(CHEMBL3977549)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
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18n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207540
PNG
(CHEMBL3896854)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
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20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207549
PNG
(CHEMBL3928695)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
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22n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207547
PNG
(CHEMBL3960492)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
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25n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
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£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207539
PNG
(CHEMBL3976024)
Show SMILES O=C1Nc2ccccc2S(=O)(=O)N1
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56n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207544
PNG
(CHEMBL3984047)
Show SMILES O=S1(=O)NC=Nc2ccccc12 |c:4|
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76n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207539
PNG
(CHEMBL3976024)
Show SMILES O=C1Nc2ccccc2S(=O)(=O)N1
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87n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207544
PNG
(CHEMBL3984047)
Show SMILES O=S1(=O)NC=Nc2ccccc12 |c:4|
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116n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207539
PNG
(CHEMBL3976024)
Show SMILES O=C1Nc2ccccc2S(=O)(=O)N1
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127n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207541
PNG
(CHEMBL1993421)
Show SMILES CC1=Nc2ccccc2S(=O)(=O)N1 |t:1|
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135n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
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£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207541
PNG
(CHEMBL1993421)
Show SMILES CC1=Nc2ccccc2S(=O)(=O)N1 |t:1|
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349n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207544
PNG
(CHEMBL3984047)
Show SMILES O=S1(=O)NC=Nc2ccccc12 |c:4|
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378n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207541
PNG
(CHEMBL1993421)
Show SMILES CC1=Nc2ccccc2S(=O)(=O)N1 |t:1|
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642n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207539
PNG
(CHEMBL3976024)
Show SMILES O=C1Nc2ccccc2S(=O)(=O)N1
PDB
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783n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50207545
PNG
(CHEMBL3914224)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
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2.40E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50207545
PNG
(CHEMBL3914224)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
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5.47E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50106196
PNG
((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...)
Show SMILES O=c1[nH]c2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
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8.65E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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1.05E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207544
PNG
(CHEMBL3984047)
Show SMILES O=S1(=O)NC=Nc2ccccc12 |c:4|
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1.26E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50106196
PNG
((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...)
Show SMILES O=c1[nH]c2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
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1.37E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207541
PNG
(CHEMBL1993421)
Show SMILES CC1=Nc2ccccc2S(=O)(=O)N1 |t:1|
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1.38E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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1.57E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207548
PNG
(CHEMBL3977549)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207549
PNG
(CHEMBL3928695)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207543
PNG
(CHEMBL3956977)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207543
PNG
(CHEMBL3956977)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(F)cc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207547
PNG
(CHEMBL3960492)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207545
PNG
(CHEMBL3914224)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207542
PNG
(CHEMBL3986431)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM27504
PNG
(4-HQN | 4-hydroxyquinazoline | CHEMBL266540 | quin...)
Show SMILES O=c1[nH]cnc2ccccc12
Show InChI InChI=1S/C8H6N2O/c11-8-6-3-1-2-4-7(6)9-5-10-8/h1-5H,(H,9,10,11)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50106196
PNG
((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...)
Show SMILES O=c1[nH]c2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50106196
PNG
((1H )-Quinazolin-2,4-dione | 1H-Quinazoline-2,4-di...)
Show SMILES O=c1[nH]c2ccccc2c(=O)[nH]1
Show InChI InChI=1S/C8H6N2O2/c11-7-5-3-1-2-4-6(5)9-8(12)10-7/h1-4H,(H2,9,10,11,12)
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207542
PNG
(CHEMBL3986431)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207547
PNG
(CHEMBL3960492)
Show SMILES FC(F)(F)c1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207545
PNG
(CHEMBL3914224)
Show SMILES [O-][N+](=O)c1ccc2[nH]c(=O)[nH]c(=O)c2c1
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50207540
PNG
(CHEMBL3896854)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207549
PNG
(CHEMBL3928695)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccccc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207540
PNG
(CHEMBL3896854)
Show SMILES Fc1ccc(cc1)C(=O)Nc1ccccc1C(=O)Nc1ccc2c(cc(=O)oc2c1)C(F)(F)F
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50207548
PNG
(CHEMBL3977549)
Show SMILES Cc1cc(=O)oc2cc(NC(=O)c3ccccc3NC(=O)c3ccc(Cl)cc3)ccc12
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>5.00E+5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


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


Bioorg Med Chem 25: 677-683 (2017)


Article DOI: 10.1016/j.bmc.2016.11.039
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%