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PubMed code 23647428

Compile data set for download or QSAR
Found 84 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))
BDBM50004946
PNG
(CHEMBL2380751)
Show SMILES [K+].[S-]C(=S)OCCc1ccccn1
Show InChI InChI=1S/C8H9NOS2.K/c11-8(12)10-6-4-7-3-1-2-5-9-7;/h1-3,5H,4,6H2,(H,11,12);/q;+1/p-1
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3.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004946
PNG
(CHEMBL2380751)
Show SMILES [K+].[S-]C(=S)OCCc1ccccn1
Show InChI InChI=1S/C8H9NOS2.K/c11-8(12)10-6-4-7-3-1-2-5-9-7;/h1-3,5H,4,6H2,(H,11,12);/q;+1/p-1
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4.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004947
PNG
(CHEMBL2380750)
Show SMILES [K+].[S-]C(=S)OCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/p-1
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5.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004930
PNG
(CHEMBL2380747)
Show SMILES [K+].CC(C)(C)OC(=O)NCCCCOC([S-])=S
Show InChI InChI=1S/C10H19NO3S2.K/c1-10(2,3)14-8(12)11-6-4-5-7-13-9(15)16;/h4-7H2,1-3H3,(H,11,12)(H,15,16);/q;+1/p-1
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5.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
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 recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004948
PNG
(CHEMBL2380749)
Show SMILES [K+].[S-]C(=S)OCc1ccccc1
Show InChI InChI=1S/C8H8OS2.K/c10-8(11)9-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11);/q;+1/p-1
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6n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004949
PNG
(CHEMBL2380748)
Show SMILES [K+].CC(C)(C)OC(=O)NCCCCCCOC([S-])=S
Show InChI InChI=1S/C12H23NO3S2.K/c1-12(2,3)16-10(14)13-8-6-4-5-7-9-15-11(17)18;/h4-9H2,1-3H3,(H,13,14)(H,17,18);/q;+1/p-1
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6.30n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004944
PNG
(CHEMBL2380753)
Show SMILES [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:9.14.8:15,THB:10:9:11.12.16:15,12:11:8:14.13.15,12:13:10.11.16:8|
Show InChI InChI=1S/C13H20OS2.K/c15-12(16)14-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,1-8H2,(H,15,16);/q;+1/p-1
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6.40n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50373123
PNG
(CHEMBL404954)
Show SMILES [S-]C(=S)OC1CC2CC1C1CCCC21 |w:9.10,13.13,6.5,4.3,8.7,TEB:10:9:7:4.5,12:13:7:4.5,3:4:7:13.9|
Show InChI InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1
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6.60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004943
PNG
(CHEMBL2380754)
Show SMILES [K+].[S-]C(=S)SCc1ccccc1
Show InChI InChI=1S/C8H8S3.K/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
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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 recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004943
PNG
(CHEMBL2380754)
Show SMILES [K+].[S-]C(=S)SCc1ccccc1
Show InChI InChI=1S/C8H8S3.K/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
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7.80n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004931
PNG
(CHEMBL2380746)
Show SMILES [K+].CN(C)CCOCCOC([S-])=S
Show InChI InChI=1S/C7H15NO2S2.K/c1-8(2)3-4-9-5-6-10-7(11)12;/h3-6H2,1-2H3,(H,11,12);/q;+1/p-1
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8.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004948
PNG
(CHEMBL2380749)
Show SMILES [K+].[S-]C(=S)OCc1ccccc1
Show InChI InChI=1S/C8H8OS2.K/c10-8(11)9-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11);/q;+1/p-1
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8.10n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004930
PNG
(CHEMBL2380747)
Show SMILES [K+].CC(C)(C)OC(=O)NCCCCOC([S-])=S
Show InChI InChI=1S/C10H19NO3S2.K/c1-10(2,3)14-8(12)11-6-4-5-7-13-9(15)16;/h4-7H2,1-3H3,(H,11,12)(H,15,16);/q;+1/p-1
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9.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
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 recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004946
PNG
(CHEMBL2380751)
Show SMILES [K+].[S-]C(=S)OCCc1ccccn1
Show InChI InChI=1S/C8H9NOS2.K/c11-8(12)10-6-4-7-3-1-2-5-9-7;/h1-3,5H,4,6H2,(H,11,12);/q;+1/p-1
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13n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004945
PNG
(CHEMBL2380752)
Show SMILES [K+].[S-]C(=S)OCC12CC3CC(CC(C3)C1)C2 |TLB:9:10:8.13.7:14,THB:9:8:10.11.15:14,11:10:7:13.12.14,11:12:9.10.15:7|
Show InChI InChI=1S/C12H18OS2.K/c14-11(15)13-7-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7H2,(H,14,15);/q;+1/p-1
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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 recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
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 recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004931
PNG
(CHEMBL2380746)
Show SMILES [K+].CN(C)CCOCCOC([S-])=S
Show InChI InChI=1S/C7H15NO2S2.K/c1-8(2)3-4-9-5-6-10-7(11)12;/h3-6H2,1-2H3,(H,11,12);/q;+1/p-1
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45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004948
PNG
(CHEMBL2380749)
Show SMILES [K+].[S-]C(=S)OCc1ccccc1
Show InChI InChI=1S/C8H8OS2.K/c10-8(11)9-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11);/q;+1/p-1
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45n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004934
PNG
(CHEMBL2380743)
Show SMILES [K+].[S-]C(=S)OC1CCCC1
Show InChI InChI=1S/C6H10OS2.K/c8-6(9)7-5-3-1-2-4-5;/h5H,1-4H2,(H,8,9);/q;+1/p-1
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47n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004947
PNG
(CHEMBL2380750)
Show SMILES [K+].[S-]C(=S)OCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/p-1
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58n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004944
PNG
(CHEMBL2380753)
Show SMILES [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:9.14.8:15,THB:10:9:11.12.16:15,12:11:8:14.13.15,12:13:10.11.16:8|
Show InChI InChI=1S/C13H20OS2.K/c15-12(16)14-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,1-8H2,(H,15,16);/q;+1/p-1
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59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004949
PNG
(CHEMBL2380748)
Show SMILES [K+].CC(C)(C)OC(=O)NCCCCCCOC([S-])=S
Show InChI InChI=1S/C12H23NO3S2.K/c1-12(2,3)16-10(14)13-8-6-4-5-7-9-15-11(17)18;/h4-9H2,1-3H3,(H,13,14)(H,17,18);/q;+1/p-1
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59n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004932
PNG
(CHEMBL2380745)
Show SMILES [K+].CN(C)CCOC([S-])=S
Show InChI InChI=1S/C5H11NOS2.K/c1-6(2)3-4-7-5(8)9;/h3-4H2,1-2H3,(H,8,9);/q;+1/p-1
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60n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50373123
PNG
(CHEMBL404954)
Show SMILES [S-]C(=S)OC1CC2CC1C1CCCC21 |w:9.10,13.13,6.5,4.3,8.7,TEB:10:9:7:4.5,12:13:7:4.5,3:4:7:13.9|
Show InChI InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004947
PNG
(CHEMBL2380750)
Show SMILES [K+].[S-]C(=S)OCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/p-1
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63n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004947
PNG
(CHEMBL2380750)
Show SMILES [K+].[S-]C(=S)OCC(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H14OS2.K/c17-15(18)16-11-14(12-7-3-1-4-8-12)13-9-5-2-6-10-13;/h1-10,14H,11H2,(H,17,18);/q;+1/p-1
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64n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004935
PNG
(CHEMBL2380742)
Show SMILES [K+].CCCCCCCCOC([S-])=S
Show InChI InChI=1S/C9H18OS2.K/c1-2-3-4-5-6-7-8-10-9(11)12;/h2-8H2,1H3,(H,11,12);/q;+1/p-1
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72n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004943
PNG
(CHEMBL2380754)
Show SMILES [K+].[S-]C(=S)SCc1ccccc1
Show InChI InChI=1S/C8H8S3.K/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
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74n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004946
PNG
(CHEMBL2380751)
Show SMILES [K+].[S-]C(=S)OCCc1ccccn1
Show InChI InChI=1S/C8H9NOS2.K/c11-8(12)10-6-4-7-3-1-2-5-9-7;/h1-3,5H,4,6H2,(H,11,12);/q;+1/p-1
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74n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004942
PNG
(CHEMBL2380755)
Show SMILES [K+].[S-]C(=S)NC#N
Show InChI InChI=1S/C2H2N2S2.K/c3-1-4-2(5)6;/h(H2,4,5,6);/q;+1/p-1
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74n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004934
PNG
(CHEMBL2380743)
Show SMILES [K+].[S-]C(=S)OC1CCCC1
Show InChI InChI=1S/C6H10OS2.K/c8-6(9)7-5-3-1-2-4-5;/h5H,1-4H2,(H,8,9);/q;+1/p-1
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75n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004948
PNG
(CHEMBL2380749)
Show SMILES [K+].[S-]C(=S)OCc1ccccc1
Show InChI InChI=1S/C8H8OS2.K/c10-8(11)9-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,10,11);/q;+1/p-1
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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 recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004943
PNG
(CHEMBL2380754)
Show SMILES [K+].[S-]C(=S)SCc1ccccc1
Show InChI InChI=1S/C8H8S3.K/c9-8(10)11-6-7-4-2-1-3-5-7;/h1-5H,6H2,(H,9,10);/q;+1/p-1
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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 recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004933
PNG
(CHEMBL2380744)
Show SMILES [K+].[S-]C(=S)OC1CCCCC1
Show InChI InChI=1S/C7H12OS2.K/c9-7(10)8-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10);/q;+1/p-1
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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 recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004933
PNG
(CHEMBL2380744)
Show SMILES [K+].[S-]C(=S)OC1CCCCC1
Show InChI InChI=1S/C7H12OS2.K/c9-7(10)8-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10);/q;+1/p-1
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79n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004945
PNG
(CHEMBL2380752)
Show SMILES [K+].[S-]C(=S)OCC12CC3CC(CC(C3)C1)C2 |TLB:9:10:8.13.7:14,THB:9:8:10.11.15:14,11:10:7:13.12.14,11:12:9.10.15:7|
Show InChI InChI=1S/C12H18OS2.K/c14-11(15)13-7-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7H2,(H,14,15);/q;+1/p-1
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81n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
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 recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004933
PNG
(CHEMBL2380744)
Show SMILES [K+].[S-]C(=S)OC1CCCCC1
Show InChI InChI=1S/C7H12OS2.K/c9-7(10)8-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10);/q;+1/p-1
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293n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004937
PNG
(CHEMBL2380740)
Show SMILES [K+].CC(C)CCOC([S-])=S
Show InChI InChI=1S/C6H12OS2.K/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1
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298n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004940
PNG
(CHEMBL2380738)
Show SMILES [K+].CCOC([S-])=S
Show InChI InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
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305n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004939
PNG
(CHEMBL2380739)
Show SMILES [K+].CC(C)OC([S-])=S
Show InChI InChI=1S/C4H8OS2.K/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
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307n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004937
PNG
(CHEMBL2380740)
Show SMILES [K+].CC(C)CCOC([S-])=S
Show InChI InChI=1S/C6H12OS2.K/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1
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322n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004932
PNG
(CHEMBL2380745)
Show SMILES [K+].CN(C)CCOC([S-])=S
Show InChI InChI=1S/C5H11NOS2.K/c1-6(2)3-4-7-5(8)9;/h3-4H2,1-2H3,(H,8,9);/q;+1/p-1
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327n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004935
PNG
(CHEMBL2380742)
Show SMILES [K+].CCCCCCCCOC([S-])=S
Show InChI InChI=1S/C9H18OS2.K/c1-2-3-4-5-6-7-8-10-9(11)12;/h2-8H2,1H3,(H,11,12);/q;+1/p-1
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337n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004941
PNG
(CHEMBL2380737)
Show SMILES [K+].COC([S-])=S
Show InChI InChI=1S/C2H4OS2.K/c1-3-2(4)5;/h1H3,(H,4,5);/q;+1/p-1
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346n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004935
PNG
(CHEMBL2380742)
Show SMILES [K+].CCCCCCCCOC([S-])=S
Show InChI InChI=1S/C9H18OS2.K/c1-2-3-4-5-6-7-8-10-9(11)12;/h2-8H2,1H3,(H,11,12);/q;+1/p-1
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351n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004936
PNG
(CHEMBL2380741)
Show SMILES [K+].CCCCCOC([S-])=S
Show InChI InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1
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361n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50004934
PNG
(CHEMBL2380743)
Show SMILES [K+].[S-]C(=S)OC1CCCC1
Show InChI InChI=1S/C6H10OS2.K/c8-6(9)7-5-3-1-2-4-5;/h5H,1-4H2,(H,8,9);/q;+1/p-1
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366n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004936
PNG
(CHEMBL2380741)
Show SMILES [K+].CCCCCOC([S-])=S
Show InChI InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1
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384n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004939
PNG
(CHEMBL2380739)
Show SMILES [K+].CC(C)OC([S-])=S
Show InChI InChI=1S/C4H8OS2.K/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
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401n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004936
PNG
(CHEMBL2380741)
Show SMILES [K+].CCCCCOC([S-])=S
Show InChI InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1
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403n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004939
PNG
(CHEMBL2380739)
Show SMILES [K+].CC(C)OC([S-])=S
Show InChI InChI=1S/C4H8OS2.K/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
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531n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004942
PNG
(CHEMBL2380755)
Show SMILES [K+].[S-]C(=S)NC#N
Show InChI InChI=1S/C2H2N2S2.K/c3-1-4-2(5)6;/h(H2,4,5,6);/q;+1/p-1
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531n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004934
PNG
(CHEMBL2380743)
Show SMILES [K+].[S-]C(=S)OC1CCCC1
Show InChI InChI=1S/C6H10OS2.K/c8-6(9)7-5-3-1-2-4-5;/h5H,1-4H2,(H,8,9);/q;+1/p-1
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532n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004937
PNG
(CHEMBL2380740)
Show SMILES [K+].CC(C)CCOC([S-])=S
Show InChI InChI=1S/C6H12OS2.K/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1
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561n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004940
PNG
(CHEMBL2380738)
Show SMILES [K+].CCOC([S-])=S
Show InChI InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
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566n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004940
PNG
(CHEMBL2380738)
Show SMILES [K+].CCOC([S-])=S
Show InChI InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
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604n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004931
PNG
(CHEMBL2380746)
Show SMILES [K+].CN(C)CCOCCOC([S-])=S
Show InChI InChI=1S/C7H15NO2S2.K/c1-8(2)3-4-9-5-6-10-7(11)12;/h3-6H2,1-2H3,(H,11,12);/q;+1/p-1
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622n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004930
PNG
(CHEMBL2380747)
Show SMILES [K+].CC(C)(C)OC(=O)NCCCCOC([S-])=S
Show InChI InChI=1S/C10H19NO3S2.K/c1-10(2,3)14-8(12)11-6-4-5-7-13-9(15)16;/h4-7H2,1-3H3,(H,11,12)(H,15,16);/q;+1/p-1
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622n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004941
PNG
(CHEMBL2380737)
Show SMILES [K+].COC([S-])=S
Show InChI InChI=1S/C2H4OS2.K/c1-3-2(4)5;/h1H3,(H,4,5);/q;+1/p-1
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631n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004937
PNG
(CHEMBL2380740)
Show SMILES [K+].CC(C)CCOC([S-])=S
Show InChI InChI=1S/C6H12OS2.K/c1-5(2)3-4-7-6(8)9;/h5H,3-4H2,1-2H3,(H,8,9);/q;+1/p-1
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638n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50373123
PNG
(CHEMBL404954)
Show SMILES [S-]C(=S)OC1CC2CC1C1CCCC21 |w:9.10,13.13,6.5,4.3,8.7,TEB:10:9:7:4.5,12:13:7:4.5,3:4:7:13.9|
Show InChI InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1
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643n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004942
PNG
(CHEMBL2380755)
Show SMILES [K+].[S-]C(=S)NC#N
Show InChI InChI=1S/C2H2N2S2.K/c3-1-4-2(5)6;/h(H2,4,5,6);/q;+1/p-1
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678n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004939
PNG
(CHEMBL2380739)
Show SMILES [K+].CC(C)OC([S-])=S
Show InChI InChI=1S/C4H8OS2.K/c1-3(2)5-4(6)7;/h3H,1-2H3,(H,6,7);/q;+1/p-1
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685n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004941
PNG
(CHEMBL2380737)
Show SMILES [K+].COC([S-])=S
Show InChI InChI=1S/C2H4OS2.K/c1-3-2(4)5;/h1H3,(H,4,5);/q;+1/p-1
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687n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004930
PNG
(CHEMBL2380747)
Show SMILES [K+].CC(C)(C)OC(=O)NCCCCOC([S-])=S
Show InChI InChI=1S/C10H19NO3S2.K/c1-10(2,3)14-8(12)11-6-4-5-7-13-9(15)16;/h4-7H2,1-3H3,(H,11,12)(H,15,16);/q;+1/p-1
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705n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004942
PNG
(CHEMBL2380755)
Show SMILES [K+].[S-]C(=S)NC#N
Show InChI InChI=1S/C2H2N2S2.K/c3-1-4-2(5)6;/h(H2,4,5,6);/q;+1/p-1
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709n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004944
PNG
(CHEMBL2380753)
Show SMILES [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:9.14.8:15,THB:10:9:11.12.16:15,12:11:8:14.13.15,12:13:10.11.16:8|
Show InChI InChI=1S/C13H20OS2.K/c15-12(16)14-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,1-8H2,(H,15,16);/q;+1/p-1
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737n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004949
PNG
(CHEMBL2380748)
Show SMILES [K+].CC(C)(C)OC(=O)NCCCCCCOC([S-])=S
Show InChI InChI=1S/C12H23NO3S2.K/c1-12(2,3)16-10(14)13-8-6-4-5-7-9-15-11(17)18;/h4-9H2,1-3H3,(H,13,14)(H,17,18);/q;+1/p-1
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744n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004932
PNG
(CHEMBL2380745)
Show SMILES [K+].CN(C)CCOC([S-])=S
Show InChI InChI=1S/C5H11NOS2.K/c1-6(2)3-4-7-5(8)9;/h3-4H2,1-2H3,(H,8,9);/q;+1/p-1
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745n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004945
PNG
(CHEMBL2380752)
Show SMILES [K+].[S-]C(=S)OCC12CC3CC(CC(C3)C1)C2 |TLB:9:10:8.13.7:14,THB:9:8:10.11.15:14,11:10:7:13.12.14,11:12:9.10.15:7|
Show InChI InChI=1S/C12H18OS2.K/c14-11(15)13-7-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7H2,(H,14,15);/q;+1/p-1
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750n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004932
PNG
(CHEMBL2380745)
Show SMILES [K+].CN(C)CCOC([S-])=S
Show InChI InChI=1S/C5H11NOS2.K/c1-6(2)3-4-7-5(8)9;/h3-4H2,1-2H3,(H,8,9);/q;+1/p-1
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760n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004949
PNG
(CHEMBL2380748)
Show SMILES [K+].CC(C)(C)OC(=O)NCCCCCCOC([S-])=S
Show InChI InChI=1S/C12H23NO3S2.K/c1-12(2,3)16-10(14)13-8-6-4-5-7-9-15-11(17)18;/h4-9H2,1-3H3,(H,13,14)(H,17,18);/q;+1/p-1
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765n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004936
PNG
(CHEMBL2380741)
Show SMILES [K+].CCCCCOC([S-])=S
Show InChI InChI=1S/C6H12OS2.K/c1-2-3-4-5-7-6(8)9;/h2-5H2,1H3,(H,8,9);/q;+1/p-1
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766n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004945
PNG
(CHEMBL2380752)
Show SMILES [K+].[S-]C(=S)OCC12CC3CC(CC(C3)C1)C2 |TLB:9:10:8.13.7:14,THB:9:8:10.11.15:14,11:10:7:13.12.14,11:12:9.10.15:7|
Show InChI InChI=1S/C12H18OS2.K/c14-11(15)13-7-12-4-8-1-9(5-12)3-10(2-8)6-12;/h8-10H,1-7H2,(H,14,15);/q;+1/p-1
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776n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004944
PNG
(CHEMBL2380753)
Show SMILES [K+].[S-]C(=S)OCCC12CC3CC(CC(C3)C1)C2 |TLB:10:11:9.14.8:15,THB:10:9:11.12.16:15,12:11:8:14.13.15,12:13:10.11.16:8|
Show InChI InChI=1S/C13H20OS2.K/c15-12(16)14-2-1-13-6-9-3-10(7-13)5-11(4-9)8-13;/h9-11H,1-8H2,(H,15,16);/q;+1/p-1
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779n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50004933
PNG
(CHEMBL2380744)
Show SMILES [K+].[S-]C(=S)OC1CCCCC1
Show InChI InChI=1S/C7H12OS2.K/c9-7(10)8-6-4-2-1-3-5-6;/h6H,1-5H2,(H,9,10);/q;+1/p-1
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795n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004941
PNG
(CHEMBL2380737)
Show SMILES [K+].COC([S-])=S
Show InChI InChI=1S/C2H4OS2.K/c1-3-2(4)5;/h1H3,(H,4,5);/q;+1/p-1
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808n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004935
PNG
(CHEMBL2380742)
Show SMILES [K+].CCCCCCCCOC([S-])=S
Show InChI InChI=1S/C9H18OS2.K/c1-2-3-4-5-6-7-8-10-9(11)12;/h2-8H2,1H3,(H,11,12);/q;+1/p-1
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810n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50004940
PNG
(CHEMBL2380738)
Show SMILES [K+].CCOC([S-])=S
Show InChI InChI=1S/C3H6OS2.K/c1-2-4-3(5)6;/h2H2,1H3,(H,5,6);/q;+1/p-1
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814n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50004931
PNG
(CHEMBL2380746)
Show SMILES [K+].CN(C)CCOCCOC([S-])=S
Show InChI InChI=1S/C7H15NO2S2.K/c1-8(2)3-4-9-5-6-10-7(11)12;/h3-6H2,1-2H3,(H,11,12);/q;+1/p-1
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831n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50373123
PNG
(CHEMBL404954)
Show SMILES [S-]C(=S)OC1CC2CC1C1CCCC21 |w:9.10,13.13,6.5,4.3,8.7,TEB:10:9:7:4.5,12:13:7:4.5,3:4:7:13.9|
Show InChI InChI=1S/C11H16OS2/c13-11(14)12-10-5-6-4-9(10)8-3-1-2-7(6)8/h6-10H,1-5H2,(H,13,14)/p-1
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835n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay


J Med Chem 56: 4691-700 (2013)


Article DOI: 10.1021/jm400414j
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%