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PubMed code 26432607

Compile data set for download or QSAR
Found 60 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))
BDBM50125685
PNG
(CHEMBL3623668)
Show SMILES Fc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12FN3O3/c19-13-3-5-15(6-4-13)22-10-14(20-21-22)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10H,11H2
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4.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125584
PNG
(CHEMBL3623663)
Show SMILES O=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O3/c22-18-9-7-13-6-8-16(10-17(13)24-18)23-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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4.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125679
PNG
(CHEMBL3623671)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H13N3O5/c23-18-8-4-12-3-7-16(9-17(12)27-18)26-11-14-10-22(21-20-14)15-5-1-13(2-6-15)19(24)25/h1-10H,11H2,(H,24,25)
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4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125585
PNG
(CHEMBL3623676)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C19H16N4O2/c1-13-9-19(24)25-18-10-16(7-8-17(13)18)23-12-15(21-22-23)11-20-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
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4.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125587
PNG
(CHEMBL3623674)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C19H15N3O3/c1-13-9-19(23)25-18-10-15(7-8-17(13)18)22-11-14(20-21-22)12-24-16-5-3-2-4-6-16/h2-11H,12H2,1H3
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5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125586
PNG
(CHEMBL3623675)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C19H15N3O2S/c1-13-9-19(23)24-18-10-15(7-8-17(13)18)22-11-14(20-21-22)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125583
PNG
(CHEMBL3623664)
Show SMILES Fc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12FN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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5.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125691
PNG
(CHEMBL3623667)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H15N3O4/c1-24-16-4-2-3-15(9-16)22-11-14(20-21-22)12-25-17-7-5-13-6-8-19(23)26-18(13)10-17/h2-11H,12H2,1H3
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5.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125681
PNG
(CHEMBL3623670)
Show SMILES Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2
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5.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125582
PNG
(CHEMBL3623665)
Show SMILES Clc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12ClN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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5.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125683
PNG
(CHEMBL3623669)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H12F3N3O3/c20-19(21,22)13-3-5-15(6-4-13)25-10-14(23-24-25)11-27-16-7-1-12-2-8-18(26)28-17(12)9-16/h1-10H,11H2
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5.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
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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5.70n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125678
PNG
(CHEMBL3623672)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H14N4O5S/c19-28(24,25)16-6-3-14(4-7-16)22-10-13(20-21-22)11-26-15-5-1-12-2-8-18(23)27-17(12)9-15/h1-10H,11H2,(H2,19,24,25)
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9.90n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

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 carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125678
PNG
(CHEMBL3623672)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H14N4O5S/c19-28(24,25)16-6-3-14(4-7-16)22-10-13(20-21-22)11-26-15-5-1-12-2-8-18(23)27-17(12)9-15/h1-10H,11H2,(H2,19,24,25)
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14n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125588
PNG
(CHEMBL3623673)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C22H15N3O5/c1-13-8-22(27)30-20-9-16(4-6-18(13)20)25-11-15(23-24-25)12-28-17-5-2-14-3-7-21(26)29-19(14)10-17/h2-11H,12H2,1H3
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125683
PNG
(CHEMBL3623669)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H12F3N3O3/c20-19(21,22)13-3-5-15(6-4-13)25-10-14(23-24-25)11-27-16-7-1-12-2-8-18(26)28-17(12)9-16/h1-10H,11H2
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23n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125685
PNG
(CHEMBL3623668)
Show SMILES Fc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12FN3O3/c19-13-3-5-15(6-4-13)22-10-14(20-21-22)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10H,11H2
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125691
PNG
(CHEMBL3623667)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H15N3O4/c1-24-16-4-2-3-15(9-16)22-11-14(20-21-22)12-25-17-7-5-13-6-8-19(23)26-18(13)10-17/h2-11H,12H2,1H3
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24n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125583
PNG
(CHEMBL3623664)
Show SMILES Fc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12FN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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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 carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125584
PNG
(CHEMBL3623663)
Show SMILES O=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O3/c22-18-9-7-13-6-8-16(10-17(13)24-18)23-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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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 carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

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 carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125693
PNG
(CHEMBL3623666)
Show SMILES Brc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12BrN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125681
PNG
(CHEMBL3623670)
Show SMILES Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2
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27n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125693
PNG
(CHEMBL3623666)
Show SMILES Brc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12BrN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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28n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125679
PNG
(CHEMBL3623671)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H13N3O5/c23-18-8-4-12-3-7-16(9-17(12)27-18)26-11-14-10-22(21-20-14)15-5-1-13(2-6-15)19(24)25/h1-10H,11H2,(H,24,25)
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29n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125586
PNG
(CHEMBL3623675)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C19H15N3O2S/c1-13-9-19(23)24-18-10-15(7-8-17(13)18)22-11-14(20-21-22)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3
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30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125582
PNG
(CHEMBL3623665)
Show SMILES Clc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12ClN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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31n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125587
PNG
(CHEMBL3623674)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C19H15N3O3/c1-13-9-19(23)25-18-10-15(7-8-17(13)18)22-11-14(20-21-22)12-24-16-5-3-2-4-6-16/h2-11H,12H2,1H3
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33n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50125585
PNG
(CHEMBL3623676)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C19H16N4O2/c1-13-9-19(24)25-18-10-16(7-8-17(13)18)23-12-15(21-22-23)11-20-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
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34n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50125588
PNG
(CHEMBL3623673)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C22H15N3O5/c1-13-8-22(27)30-20-9-16(4-6-18(13)20)25-11-15(23-24-25)12-28-17-5-2-14-3-7-21(26)29-19(14)10-17/h2-11H,12H2,1H3
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38n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125679
PNG
(CHEMBL3623671)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H13N3O5/c23-18-8-4-12-3-7-16(9-17(12)27-18)26-11-14-10-22(21-20-14)15-5-1-13(2-6-15)19(24)25/h1-10H,11H2,(H,24,25)
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100n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125678
PNG
(CHEMBL3623672)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H14N4O5S/c19-28(24,25)16-6-3-14(4-7-16)22-10-13(20-21-22)11-26-15-5-1-12-2-8-18(23)27-17(12)9-15/h1-10H,11H2,(H2,19,24,25)
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173n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125691
PNG
(CHEMBL3623667)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H15N3O4/c1-24-16-4-2-3-15(9-16)22-11-14(20-21-22)12-25-17-7-5-13-6-8-19(23)26-18(13)10-17/h2-11H,12H2,1H3
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211n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125683
PNG
(CHEMBL3623669)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H12F3N3O3/c20-19(21,22)13-3-5-15(6-4-13)25-10-14(23-24-25)11-27-16-7-1-12-2-8-18(26)28-17(12)9-16/h1-10H,11H2
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240n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125679
PNG
(CHEMBL3623671)
Show SMILES OC(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H13N3O5/c23-18-8-4-12-3-7-16(9-17(12)27-18)26-11-14-10-22(21-20-14)15-5-1-13(2-6-15)19(24)25/h1-10H,11H2,(H,24,25)
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241n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125681
PNG
(CHEMBL3623670)
Show SMILES Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2
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243n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125585
PNG
(CHEMBL3623676)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C19H16N4O2/c1-13-9-19(24)25-18-10-16(7-8-17(13)18)23-12-15(21-22-23)11-20-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
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247n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

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 carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125583
PNG
(CHEMBL3623664)
Show SMILES Fc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12FN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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921n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125587
PNG
(CHEMBL3623674)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C19H15N3O3/c1-13-9-19(23)25-18-10-15(7-8-17(13)18)22-11-14(20-21-22)12-24-16-5-3-2-4-6-16/h2-11H,12H2,1H3
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1.24E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125685
PNG
(CHEMBL3623668)
Show SMILES Fc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12FN3O3/c19-13-3-5-15(6-4-13)22-10-14(20-21-22)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10H,11H2
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1.57E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125586
PNG
(CHEMBL3623675)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C19H15N3O2S/c1-13-9-19(23)24-18-10-15(7-8-17(13)18)22-11-14(20-21-22)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3
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2.14E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125585
PNG
(CHEMBL3623676)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CNc2ccccc2)nn1
Show InChI InChI=1S/C19H16N4O2/c1-13-9-19(24)25-18-10-16(7-8-17(13)18)23-12-15(21-22-23)11-20-14-5-3-2-4-6-14/h2-10,12,20H,11H2,1H3
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9.74E+3n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125582
PNG
(CHEMBL3623665)
Show SMILES Clc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12ClN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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>1.00E+4n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125678
PNG
(CHEMBL3623672)
Show SMILES NS(=O)(=O)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H14N4O5S/c19-28(24,25)16-6-3-14(4-7-16)22-10-13(20-21-22)11-26-15-5-1-12-2-8-18(23)27-17(12)9-15/h1-10H,11H2,(H2,19,24,25)
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125584
PNG
(CHEMBL3623663)
Show SMILES O=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O3/c22-18-9-7-13-6-8-16(10-17(13)24-18)23-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125693
PNG
(CHEMBL3623666)
Show SMILES Brc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12BrN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125586
PNG
(CHEMBL3623675)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(CSc2ccccc2)nn1
Show InChI InChI=1S/C19H15N3O2S/c1-13-9-19(23)24-18-10-15(7-8-17(13)18)22-11-14(20-21-22)12-25-16-5-3-2-4-6-16/h2-11H,12H2,1H3
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125587
PNG
(CHEMBL3623674)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(COc2ccccc2)nn1
Show InChI InChI=1S/C19H15N3O3/c1-13-9-19(23)25-18-10-15(7-8-17(13)18)22-11-14(20-21-22)12-24-16-5-3-2-4-6-16/h2-11H,12H2,1H3
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125693
PNG
(CHEMBL3623666)
Show SMILES Brc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12BrN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125588
PNG
(CHEMBL3623673)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C22H15N3O5/c1-13-8-22(27)30-20-9-16(4-6-18(13)20)25-11-15(23-24-25)12-28-17-5-2-14-3-7-21(26)29-19(14)10-17/h2-11H,12H2,1H3
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125691
PNG
(CHEMBL3623667)
Show SMILES COc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H15N3O4/c1-24-16-4-2-3-15(9-16)22-11-14(20-21-22)12-25-17-7-5-13-6-8-19(23)26-18(13)10-17/h2-11H,12H2,1H3
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125582
PNG
(CHEMBL3623665)
Show SMILES Clc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12ClN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125584
PNG
(CHEMBL3623663)
Show SMILES O=c1ccc2ccc(OCc3cn(nn3)-c3ccccc3)cc2o1
Show InChI InChI=1S/C18H13N3O3/c22-18-9-7-13-6-8-16(10-17(13)24-18)23-12-14-11-21(20-19-14)15-4-2-1-3-5-15/h1-11H,12H2
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125683
PNG
(CHEMBL3623669)
Show SMILES FC(F)(F)c1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C19H12F3N3O3/c20-19(21,22)13-3-5-15(6-4-13)25-10-14(23-24-25)11-27-16-7-1-12-2-8-18(26)28-17(12)9-16/h1-10H,11H2
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125685
PNG
(CHEMBL3623668)
Show SMILES Fc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12FN3O3/c19-13-3-5-15(6-4-13)22-10-14(20-21-22)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10H,11H2
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125681
PNG
(CHEMBL3623670)
Show SMILES Oc1ccc(cc1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H13N3O4/c22-15-5-3-14(4-6-15)21-10-13(19-20-21)11-24-16-7-1-12-2-8-18(23)25-17(12)9-16/h1-10,22H,11H2
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50125588
PNG
(CHEMBL3623673)
Show SMILES Cc1cc(=O)oc2cc(ccc12)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C22H15N3O5/c1-13-8-22(27)30-20-9-16(4-6-18(13)20)25-11-15(23-24-25)12-28-17-5-2-14-3-7-21(26)29-19(14)10-17/h2-11H,12H2,1H3
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50125583
PNG
(CHEMBL3623664)
Show SMILES Fc1cccc(c1)-n1cc(COc2ccc3ccc(=O)oc3c2)nn1
Show InChI InChI=1S/C18H12FN3O3/c19-13-2-1-3-15(8-13)22-10-14(20-21-22)11-24-16-6-4-12-5-7-18(23)25-17(12)9-16/h1-10H,11H2
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Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 incubated for 6 hrs by stopped flow carbon-di-oxide hydrase assay


Bioorg Med Chem 23: 6955-66 (2015)

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