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PubMed code 25846066

Compile data set for download or QSAR
Found 88 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))
BDBM50067987
PNG
(CHEMBL3400811)
Show SMILES [K+].CC(C)(C)C(=O)NC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C11H20N2OS2/c1-11(2,3)9(14)12-8-5-4-6-13(7-8)10(15)16/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/p-1
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0.760n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067994
PNG
(CHEMBL3400798)
Show SMILES [K+].OCCCNC([S-])=S
Show InChI InChI=1S/C4H9NOS2/c6-3-1-2-5-4(7)8/h6H,1-3H2,(H2,5,7,8)/p-1
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0.910n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067992
PNG
(CHEMBL3400816)
Show SMILES [Na+].NS(=O)(=O)c1ccc(CCNC([S-])=S)cc1
Show InChI InChI=1S/C9H12N2O2S3/c10-16(12,13)8-3-1-7(2-4-8)5-6-11-9(14)15/h1-4H,5-6H2,(H2,10,12,13)(H2,11,14,15)/p-1
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0.910n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067948
PNG
(CHEMBL3400804)
Show SMILES [K+].[S-]C(=S)N1CCCCC1
Show InChI InChI=1S/C6H11NS2/c8-6(9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)/p-1
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0.920n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067987
PNG
(CHEMBL3400811)
Show SMILES [K+].CC(C)(C)C(=O)NC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C11H20N2OS2/c1-11(2,3)9(14)12-8-5-4-6-13(7-8)10(15)16/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/p-1
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0.970n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067995
PNG
(CHEMBL3400799)
Show SMILES [K+].OCCCCNC([S-])=S
Show InChI InChI=1S/C5H11NOS2/c7-4-2-1-3-6-5(8)9/h7H,1-4H2,(H2,6,8,9)/p-1
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0.970n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067996
PNG
(CHEMBL3400800)
Show SMILES [Na+].OCCCCCNC([S-])=S
Show InChI InChI=1S/C6H13NOS2/c8-5-3-1-2-4-7-6(9)10/h8H,1-5H2,(H2,7,9,10)/p-1
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2.60n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067992
PNG
(CHEMBL3400816)
Show SMILES [Na+].NS(=O)(=O)c1ccc(CCNC([S-])=S)cc1
Show InChI InChI=1S/C9H12N2O2S3/c10-16(12,13)8-3-1-7(2-4-8)5-6-11-9(14)15/h1-4H,5-6H2,(H2,10,12,13)(H2,11,14,15)/p-1
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3.90n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067996
PNG
(CHEMBL3400800)
Show SMILES [Na+].OCCCCCNC([S-])=S
Show InChI InChI=1S/C6H13NOS2/c8-5-3-1-2-4-7-6(9)10/h8H,1-5H2,(H2,7,9,10)/p-1
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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 recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
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 recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067994
PNG
(CHEMBL3400798)
Show SMILES [K+].OCCCNC([S-])=S
Show InChI InChI=1S/C4H9NOS2/c6-3-1-2-5-4(7)8/h6H,1-3H2,(H2,5,7,8)/p-1
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6.5n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067989
PNG
(CHEMBL3400813)
Show SMILES [Na+].[Na+].[O-]C(=O)C1COCCN1C([S-])=S
Show InChI InChI=1/C6H9NO3S2/c8-5(9)4-3-10-2-1-7(4)6(11)12/h4H,1-3H2,(H,8,9)(H,11,12)/p-2
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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 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067949
PNG
(CHEMBL3400805)
Show SMILES [Na+].OC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1
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7.60n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067989
PNG
(CHEMBL3400813)
Show SMILES [Na+].[Na+].[O-]C(=O)C1COCCN1C([S-])=S
Show InChI InChI=1/C6H9NO3S2/c8-5(9)4-3-10-2-1-7(4)6(11)12/h4H,1-3H2,(H,8,9)(H,11,12)/p-2
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8n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067995
PNG
(CHEMBL3400799)
Show SMILES [K+].OCCCCNC([S-])=S
Show InChI InChI=1S/C5H11NOS2/c7-4-2-1-3-6-5(8)9/h7H,1-4H2,(H2,6,8,9)/p-1
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8.30n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067986
PNG
(CHEMBL3400810)
Show SMILES [K+].CC(=O)NC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C8H14N2OS2/c1-6(11)9-7-3-2-4-10(5-7)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)/p-1
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8.40n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067984
PNG
(CHEMBL3400808)
Show SMILES [Na+].[Na+].[O-]C(=O)[C@H]1CCCN(C1)C([S-])=S |r|
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-/s2
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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 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067993
PNG
(CHEMBL3400797)
Show SMILES [K+].CN(C)CCNC([S-])=S
Show InChI InChI=1S/C5H12N2S2/c1-7(2)4-3-6-5(8)9/h3-4H2,1-2H3,(H2,6,8,9)/p-1
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9.20n/an/an/an/an/an/an/an/a



Universit£ degli Studi di Firenze

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067986
PNG
(CHEMBL3400810)
Show SMILES [K+].CC(=O)NC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C8H14N2OS2/c1-6(11)9-7-3-2-4-10(5-7)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)/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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067987
PNG
(CHEMBL3400811)
Show SMILES [K+].CC(C)(C)C(=O)NC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C11H20N2OS2/c1-11(2,3)9(14)12-8-5-4-6-13(7-8)10(15)16/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067991
PNG
(CHEMBL3400815)
Show SMILES [Na+].[S-]C(=S)NCCc1ccccc1
Show InChI InChI=1S/C9H11NS2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11,12)/p-1
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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 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067996
PNG
(CHEMBL3400800)
Show SMILES [Na+].OCCCCCNC([S-])=S
Show InChI InChI=1S/C6H13NOS2/c8-5-3-1-2-4-7-6(9)10/h8H,1-5H2,(H2,7,9,10)/p-1
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17n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067998
PNG
(CHEMBL3400802)
Show SMILES [Na+].[S-]C(=S)N[C@H]1CN2CCC1CC2 |r,wD:5.3,(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1/t7-/s2
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19n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067995
PNG
(CHEMBL3400799)
Show SMILES [K+].OCCCCNC([S-])=S
Show InChI InChI=1S/C5H11NOS2/c7-4-2-1-3-6-5(8)9/h7H,1-4H2,(H2,6,8,9)/p-1
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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 recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067984
PNG
(CHEMBL3400808)
Show SMILES [Na+].[Na+].[O-]C(=O)[C@H]1CCCN(C1)C([S-])=S |r|
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-/s2
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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 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067991
PNG
(CHEMBL3400815)
Show SMILES [Na+].[S-]C(=S)NCCc1ccccc1
Show InChI InChI=1S/C9H11NS2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11,12)/p-1
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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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067948
PNG
(CHEMBL3400804)
Show SMILES [K+].[S-]C(=S)N1CCCCC1
Show InChI InChI=1S/C6H11NS2/c8-6(9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)/p-1
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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 recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067982
PNG
(CHEMBL3400806)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCCN(C1)C([S-])=S
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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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 recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067985
PNG
(CHEMBL3400809)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCN(CC1)C([S-])=S
Show InChI InChI=1S/C7H11NO2S2/c9-6(10)5-1-3-8(4-2-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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36n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067993
PNG
(CHEMBL3400797)
Show SMILES [K+].CN(C)CCNC([S-])=S
Show InChI InChI=1S/C5H12N2S2/c1-7(2)4-3-6-5(8)9/h3-4H2,1-2H3,(H2,6,8,9)/p-1
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36n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067993
PNG
(CHEMBL3400797)
Show SMILES [K+].CN(C)CCNC([S-])=S
Show InChI InChI=1S/C5H12N2S2/c1-7(2)4-3-6-5(8)9/h3-4H2,1-2H3,(H2,6,8,9)/p-1
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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 recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067983
PNG
(CHEMBL3400807)
Show SMILES [Na+].[Na+].[O-]C(=O)[C@@H]1CCCN(C1)C([S-])=S |r|
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-/s2
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41n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067994
PNG
(CHEMBL3400798)
Show SMILES [K+].OCCCNC([S-])=S
Show InChI InChI=1S/C4H9NOS2/c6-3-1-2-5-4(7)8/h6H,1-3H2,(H2,5,7,8)/p-1
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42n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067982
PNG
(CHEMBL3400806)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCCN(C1)C([S-])=S
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067949
PNG
(CHEMBL3400805)
Show SMILES [Na+].OC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1
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46n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067992
PNG
(CHEMBL3400816)
Show SMILES [Na+].NS(=O)(=O)c1ccc(CCNC([S-])=S)cc1
Show InChI InChI=1S/C9H12N2O2S3/c10-16(12,13)8-3-1-7(2-4-8)5-6-11-9(14)15/h1-4H,5-6H2,(H2,10,12,13)(H2,11,14,15)/p-1
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48n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067986
PNG
(CHEMBL3400810)
Show SMILES [K+].CC(=O)NC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C8H14N2OS2/c1-6(11)9-7-3-2-4-10(5-7)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)/p-1
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48n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067997
PNG
(CHEMBL3400801)
Show SMILES [Na+].[S-]C(=S)NC1CN2CCC1CC2 |(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1
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49n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067981
PNG
(CHEMBL3400156)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCCCN1C([S-])=S
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-3-1-2-4-8(5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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51n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067948
PNG
(CHEMBL3400804)
Show SMILES [K+].[S-]C(=S)N1CCCCC1
Show InChI InChI=1S/C6H11NS2/c8-6(9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)/p-1
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53n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067988
PNG
(CHEMBL3400812)
Show SMILES [Na+].CC1COCCN1C([S-])=S
Show InChI InChI=1/C6H11NOS2/c1-5-4-8-3-2-7(5)6(9)10/h5H,2-4H2,1H3,(H,9,10)/p-1
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55n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067988
PNG
(CHEMBL3400812)
Show SMILES [Na+].CC1COCCN1C([S-])=S
Show InChI InChI=1/C6H11NOS2/c1-5-4-8-3-2-7(5)6(9)10/h5H,2-4H2,1H3,(H,9,10)/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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067949
PNG
(CHEMBL3400805)
Show SMILES [Na+].OC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1
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61n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067983
PNG
(CHEMBL3400807)
Show SMILES [Na+].[Na+].[O-]C(=O)[C@@H]1CCCN(C1)C([S-])=S |r|
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-/s2
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66n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067999
PNG
(CHEMBL3400803)
Show SMILES [Na+].[S-]C(=S)N[C@@H]1CN2CCC1CC2 |r,wU:5.3,(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1/t7-/s2
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66n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067990
PNG
(CHEMBL3400814)
Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1
Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1
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67n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067996
PNG
(CHEMBL3400800)
Show SMILES [Na+].OCCCCCNC([S-])=S
Show InChI InChI=1S/C6H13NOS2/c8-5-3-1-2-4-7-6(9)10/h8H,1-5H2,(H2,7,9,10)/p-1
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67n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067982
PNG
(CHEMBL3400806)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCCN(C1)C([S-])=S
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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67n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067981
PNG
(CHEMBL3400156)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCCCN1C([S-])=S
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-3-1-2-4-8(5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067998
PNG
(CHEMBL3400802)
Show SMILES [Na+].[S-]C(=S)N[C@H]1CN2CCC1CC2 |r,wD:5.3,(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1/t7-/s2
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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 human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067985
PNG
(CHEMBL3400809)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCN(CC1)C([S-])=S
Show InChI InChI=1S/C7H11NO2S2/c9-6(10)5-1-3-8(4-2-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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78n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067985
PNG
(CHEMBL3400809)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCN(CC1)C([S-])=S
Show InChI InChI=1S/C7H11NO2S2/c9-6(10)5-1-3-8(4-2-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067989
PNG
(CHEMBL3400813)
Show SMILES [Na+].[Na+].[O-]C(=O)C1COCCN1C([S-])=S
Show InChI InChI=1/C6H9NO3S2/c8-5(9)4-3-10-2-1-7(4)6(11)12/h4H,1-3H2,(H,8,9)(H,11,12)/p-2
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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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067990
PNG
(CHEMBL3400814)
Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1
Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1
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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 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067981
PNG
(CHEMBL3400156)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCCCN1C([S-])=S
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-3-1-2-4-8(5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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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 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067983
PNG
(CHEMBL3400807)
Show SMILES [Na+].[Na+].[O-]C(=O)[C@@H]1CCCN(C1)C([S-])=S |r|
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-/s2
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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 human recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067999
PNG
(CHEMBL3400803)
Show SMILES [Na+].[S-]C(=S)N[C@@H]1CN2CCC1CC2 |r,wU:5.3,(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1/t7-/s2
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82n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067989
PNG
(CHEMBL3400813)
Show SMILES [Na+].[Na+].[O-]C(=O)C1COCCN1C([S-])=S
Show InChI InChI=1/C6H9NO3S2/c8-5(9)4-3-10-2-1-7(4)6(11)12/h4H,1-3H2,(H,8,9)(H,11,12)/p-2
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85n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067993
PNG
(CHEMBL3400797)
Show SMILES [K+].CN(C)CCNC([S-])=S
Show InChI InChI=1S/C5H12N2S2/c1-7(2)4-3-6-5(8)9/h3-4H2,1-2H3,(H2,6,8,9)/p-1
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86n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067984
PNG
(CHEMBL3400808)
Show SMILES [Na+].[Na+].[O-]C(=O)[C@H]1CCCN(C1)C([S-])=S |r|
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-/s2
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86n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067998
PNG
(CHEMBL3400802)
Show SMILES [Na+].[S-]C(=S)N[C@H]1CN2CCC1CC2 |r,wD:5.3,(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1/t7-/s2
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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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067997
PNG
(CHEMBL3400801)
Show SMILES [Na+].[S-]C(=S)NC1CN2CCC1CC2 |(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1
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91n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067988
PNG
(CHEMBL3400812)
Show SMILES [Na+].CC1COCCN1C([S-])=S
Show InChI InChI=1/C6H11NOS2/c1-5-4-8-3-2-7(5)6(9)10/h5H,2-4H2,1H3,(H,9,10)/p-1
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91n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50067997
PNG
(CHEMBL3400801)
Show SMILES [Na+].[S-]C(=S)NC1CN2CCC1CC2 |(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1
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94n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067999
PNG
(CHEMBL3400803)
Show SMILES [Na+].[S-]C(=S)N[C@@H]1CN2CCC1CC2 |r,wU:5.3,(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1/t7-/s2
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94n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067992
PNG
(CHEMBL3400816)
Show SMILES [Na+].NS(=O)(=O)c1ccc(CCNC([S-])=S)cc1
Show InChI InChI=1S/C9H12N2O2S3/c10-16(12,13)8-3-1-7(2-4-8)5-6-11-9(14)15/h1-4H,5-6H2,(H2,10,12,13)(H2,11,14,15)/p-1
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98n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50067991
PNG
(CHEMBL3400815)
Show SMILES [Na+].[S-]C(=S)NCCc1ccccc1
Show InChI InChI=1S/C9H11NS2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11,12)/p-1
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107n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067984
PNG
(CHEMBL3400808)
Show SMILES [Na+].[Na+].[O-]C(=O)[C@H]1CCCN(C1)C([S-])=S |r|
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-/s2
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109n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067998
PNG
(CHEMBL3400802)
Show SMILES [Na+].[S-]C(=S)N[C@H]1CN2CCC1CC2 |r,wD:5.3,(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1/t7-/s2
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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 recombinant carbonic anhydrase 1 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067948
PNG
(CHEMBL3400804)
Show SMILES [K+].[S-]C(=S)N1CCCCC1
Show InChI InChI=1S/C6H11NS2/c8-6(9)7-4-2-1-3-5-7/h1-5H2,(H,8,9)/p-1
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252n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067982
PNG
(CHEMBL3400806)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCCN(C1)C([S-])=S
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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290n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067995
PNG
(CHEMBL3400799)
Show SMILES [K+].OCCCCNC([S-])=S
Show InChI InChI=1S/C5H11NOS2/c7-4-2-1-3-6-5(8)9/h7H,1-4H2,(H2,6,8,9)/p-1
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295n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067985
PNG
(CHEMBL3400809)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCN(CC1)C([S-])=S
Show InChI InChI=1S/C7H11NO2S2/c9-6(10)5-1-3-8(4-2-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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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 human recombinant carbonic anhydrase 1 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50067990
PNG
(CHEMBL3400814)
Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1
Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1
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414n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067990
PNG
(CHEMBL3400814)
Show SMILES [Na+].[S-]C(=S)N1CCN(CC(=O)NC2CCCCC2)CC1
Show InChI InChI=1S/C13H23N3OS2/c17-12(14-11-4-2-1-3-5-11)10-15-6-8-16(9-7-15)13(18)19/h11H,1-10H2,(H,14,17)(H,18,19)/p-1
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415n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067991
PNG
(CHEMBL3400815)
Show SMILES [Na+].[S-]C(=S)NCCc1ccccc1
Show InChI InChI=1S/C9H11NS2/c11-9(12)10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,10,11,12)/p-1
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425n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067949
PNG
(CHEMBL3400805)
Show SMILES [Na+].OC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C6H11NOS2/c8-5-2-1-3-7(4-5)6(9)10/h5,8H,1-4H2,(H,9,10)/p-1
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428n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067988
PNG
(CHEMBL3400812)
Show SMILES [Na+].CC1COCCN1C([S-])=S
Show InChI InChI=1/C6H11NOS2/c1-5-4-8-3-2-7(5)6(9)10/h5H,2-4H2,1H3,(H,9,10)/p-1
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434n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067981
PNG
(CHEMBL3400156)
Show SMILES [Na+].[Na+].[O-]C(=O)C1CCCCN1C([S-])=S
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-3-1-2-4-8(5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2
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485n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067997
PNG
(CHEMBL3400801)
Show SMILES [Na+].[S-]C(=S)NC1CN2CCC1CC2 |(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1
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494n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067983
PNG
(CHEMBL3400807)
Show SMILES [Na+].[Na+].[O-]C(=O)[C@@H]1CCCN(C1)C([S-])=S |r|
Show InChI InChI=1/C7H11NO2S2/c9-6(10)5-2-1-3-8(4-5)7(11)12/h5H,1-4H2,(H,9,10)(H,11,12)/p-2/t5-/s2
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496n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067999
PNG
(CHEMBL3400803)
Show SMILES [Na+].[S-]C(=S)N[C@@H]1CN2CCC1CC2 |r,wU:5.3,(7.42,-3.05,;-.25,-3.45,;-.23,-2.28,;-1.25,-1.68,;1.05,-1.55,;2.32,-2.3,;2.3,-3.84,;3.64,-4.61,;4.97,-3.83,;4.97,-2.27,;3.64,-1.5,;3.11,-2.61,;4.14,-3.23,)|
Show InChI InChI=1/C8H14N2S2/c11-8(12)9-7-5-10-3-1-6(7)2-4-10/h6-7H,1-5H2,(H2,9,11,12)/p-1/t7-/s2
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615n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067987
PNG
(CHEMBL3400811)
Show SMILES [K+].CC(C)(C)C(=O)NC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C11H20N2OS2/c1-11(2,3)9(14)12-8-5-4-6-13(7-8)10(15)16/h8H,4-7H2,1-3H3,(H,12,14)(H,15,16)/p-1
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683n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067994
PNG
(CHEMBL3400798)
Show SMILES [K+].OCCCNC([S-])=S
Show InChI InChI=1S/C4H9NOS2/c6-3-1-2-5-4(7)8/h6H,1-3H2,(H2,5,7,8)/p-1
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706n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50067986
PNG
(CHEMBL3400810)
Show SMILES [K+].CC(=O)NC1CCCN(C1)C([S-])=S
Show InChI InChI=1/C8H14N2OS2/c1-6(11)9-7-3-2-4-10(5-7)8(12)13/h7H,2-5H2,1H3,(H,9,11)(H,12,13)/p-1
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910n/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 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 2368-76 (2015)


Article DOI: 10.1016/j.bmc.2015.03.068
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%