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PubMed code 26264840

Compile data set for download or QSAR
Found 104 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 9


(Homo sapiens (Human))
BDBM50116436
PNG
(CHEMBL3604416)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20)
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1.90n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116389
PNG
(CHEMBL3604509)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/s2
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2.60n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10880
PNG
(AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...)
Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O
Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)
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5.70n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

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


(Homo sapiens (Human))
BDBM50116443
PNG
(CHEMBL3604409)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/s2
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8.80n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116441
PNG
(CHEMBL3604411)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1/C18H26N2O7S/c1-3-11-20(12-4-2)28(26,27)14-7-5-13(6-8-14)17(23)19-15(18(24)25)9-10-16(21)22/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)/t15-/s2
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8.90n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116440
PNG
(CHEMBL3604412)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1/C19H31N3O5S.C2HF3O2/c1-3-13-22(14-4-2)28(26,27)16-10-8-15(9-11-16)18(23)21-17(19(24)25)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H,21,23)(H,24,25);(H,6,7)/t17-;/s2
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9.10n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116442
PNG
(CHEMBL3604410)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1/C22H28N2O6S/c1-3-13-24(14-4-2)31(29,30)19-11-7-17(8-12-19)21(26)23-20(22(27)28)15-16-5-9-18(25)10-6-16/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,23,26)(H,27,28)/t20-/s2
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9.60n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116437
PNG
(CHEMBL3604415)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(O)=O |r|
Show InChI InChI=1/C18H28N2O5S2/c1-4-11-20(12-5-2)27(24,25)15-8-6-14(7-9-15)17(21)19-16(18(22)23)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,21)(H,22,23)/t16-/s2
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11n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116444
PNG
(CHEMBL3604408)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1/C24H29N3O5S/c1-3-13-27(14-4-2)33(31,32)19-11-9-17(10-12-19)23(28)26-22(24(29)30)15-18-16-25-21-8-6-5-7-20(18)21/h5-12,16,22,25H,3-4,13-15H2,1-2H3,(H,26,28)(H,29,30)/t22-/s2
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11n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116365
PNG
(CHEMBL3604512)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C19H32N4O4S.C2HF3O2/c1-3-13-23(14-4-2)28(26,27)16-10-8-15(9-11-16)19(25)22-17(18(21)24)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H2,21,24)(H,22,25);(H,6,7)/t17-;/s2
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12n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116364
PNG
(CHEMBL3604513)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C19H32N6O4S.C2HF3O2/c1-3-12-25(13-4-2)30(28,29)15-9-7-14(8-10-15)18(27)24-16(17(20)26)6-5-11-23-19(21)22;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H2,20,26)(H,24,27)(H4,21,22,23);(H,6,7)/t16-;/s2
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12n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116388
PNG
(CHEMBL3604510)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C22H29N3O5S/c1-3-13-25(14-4-2)31(29,30)19-11-7-17(8-12-19)22(28)24-20(21(23)27)15-16-5-9-18(26)10-6-16/h5-12,20,26H,3-4,13-15H2,1-2H3,(H2,23,27)(H,24,28)/t20-/s2
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12n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116390
PNG
(CHEMBL3604420)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C24H30N4O4S/c1-3-13-28(14-4-2)33(31,32)19-11-9-17(10-12-19)24(30)27-22(23(25)29)15-18-16-26-21-8-6-5-7-20(18)21/h5-12,16,22,26H,3-4,13-15H2,1-2H3,(H2,25,29)(H,27,30)/t22-/s2
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12n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116386
PNG
(CHEMBL3604511)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1/C18H27N3O6S/c1-3-11-21(12-4-2)28(26,27)14-7-5-13(6-8-14)18(25)20-15(17(19)24)9-10-16(22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H2,19,24)(H,20,25)(H,22,23)/t15-/s2
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12n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


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



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116389
PNG
(CHEMBL3604509)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/s2
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13n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116435
PNG
(CHEMBL3604417)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1/C16H25N3O4S/c1-4-10-19(11-5-2)24(22,23)14-8-6-13(7-9-14)16(21)18-12(3)15(17)20/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,20)(H,18,21)/t12-/s2
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15n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116436
PNG
(CHEMBL3604416)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20)
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16n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116364
PNG
(CHEMBL3604513)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C19H32N6O4S.C2HF3O2/c1-3-12-25(13-4-2)30(28,29)15-9-7-14(8-10-15)18(27)24-16(17(20)26)6-5-11-23-19(21)22;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H2,20,26)(H,24,27)(H4,21,22,23);(H,6,7)/t16-;/s2
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20n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116362
PNG
(CHEMBL3604515)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r|
Show InChI InChI=1/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/t16-/s2
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20n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116388
PNG
(CHEMBL3604510)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C22H29N3O5S/c1-3-13-25(14-4-2)31(29,30)19-11-7-17(8-12-19)22(28)24-20(21(23)27)15-16-5-9-18(26)10-6-16/h5-12,20,26H,3-4,13-15H2,1-2H3,(H2,23,27)(H,24,28)/t20-/s2
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21n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116361
PNG
(CHEMBL3604404)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H22N2O5S/c1-3-9-17(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)16-11-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
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22n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116390
PNG
(CHEMBL3604420)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C24H30N4O4S/c1-3-13-28(14-4-2)33(31,32)19-11-9-17(10-12-19)24(30)27-22(23(25)29)15-18-16-26-21-8-6-5-7-20(18)21/h5-12,16,22,26H,3-4,13-15H2,1-2H3,(H2,25,29)(H,27,30)/t22-/s2
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23n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116386
PNG
(CHEMBL3604511)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1/C18H27N3O6S/c1-3-11-21(12-4-2)28(26,27)14-7-5-13(6-8-14)18(25)20-15(17(19)24)9-10-16(22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H2,19,24)(H,20,25)(H,22,23)/t15-/s2
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23n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


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



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116444
PNG
(CHEMBL3604408)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1/C24H29N3O5S/c1-3-13-27(14-4-2)33(31,32)19-11-9-17(10-12-19)23(28)26-22(24(29)30)15-18-16-25-21-8-6-5-7-20(18)21/h5-12,16,22,25H,3-4,13-15H2,1-2H3,(H,26,28)(H,29,30)/t22-/s2
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25n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116427
PNG
(CHEMBL3604419)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/s2
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25n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116439
PNG
(CHEMBL3604413)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1/C19H31N5O5S.C2HF3O2/c1-3-12-24(13-4-2)30(28,29)15-9-7-14(8-10-15)17(25)23-16(18(26)27)6-5-11-22-19(20)21;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H,23,25)(H,26,27)(H4,20,21,22);(H,6,7)/t16-;/s2
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26n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116359
PNG
(CHEMBL3604406)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1/C19H30N2O5S/c1-5-11-21(12-6-2)27(25,26)16-9-7-15(8-10-16)18(22)20-17(19(23)24)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,20,22)(H,23,24)/t17-/s2
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26n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116360
PNG
(CHEMBL3604405)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1/C16H24N2O5S/c1-4-10-18(11-5-2)24(22,23)14-8-6-13(7-9-14)15(19)17-12(3)16(20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)/t12-/s2
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27n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116365
PNG
(CHEMBL3604512)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C19H32N4O4S.C2HF3O2/c1-3-13-23(14-4-2)28(26,27)16-10-8-15(9-11-16)19(25)22-17(18(21)24)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H2,21,24)(H,22,25);(H,6,7)/t17-;/s2
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27n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116443
PNG
(CHEMBL3604409)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/s2
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27n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116363
PNG
(CHEMBL3604514)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(N)=O |r|
Show InChI InChI=1/C16H25N3O4S2/c1-3-9-19(10-4-2)25(22,23)13-7-5-12(6-8-13)16(21)18-14(11-24)15(17)20/h5-8,14,24H,3-4,9-11H2,1-2H3,(H2,17,20)(H,18,21)/t14-/s2
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28n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116441
PNG
(CHEMBL3604411)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1/C18H26N2O7S/c1-3-11-20(12-4-2)28(26,27)14-7-5-13(6-8-14)17(23)19-15(18(24)25)9-10-16(21)22/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)/t15-/s2
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31n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116442
PNG
(CHEMBL3604410)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1/C22H28N2O6S/c1-3-13-24(14-4-2)31(29,30)19-11-7-17(8-12-19)21(26)23-20(22(27)28)15-16-5-9-18(25)10-6-16/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,23,26)(H,27,28)/t20-/s2
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32n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116440
PNG
(CHEMBL3604412)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1/C19H31N3O5S.C2HF3O2/c1-3-13-22(14-4-2)28(26,27)16-10-8-15(9-11-16)18(23)21-17(19(24)25)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H,21,23)(H,24,25);(H,6,7)/t17-;/s2
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32n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116362
PNG
(CHEMBL3604515)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r|
Show InChI InChI=1/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/t16-/s2
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43n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116427
PNG
(CHEMBL3604419)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/s2
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49n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116438
PNG
(CHEMBL3604414)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1/C16H24N2O5S2/c1-3-9-18(10-4-2)25(22,23)13-7-5-12(6-8-13)15(19)17-14(11-24)16(20)21/h5-8,14,24H,3-4,9-11H2,1-2H3,(H,17,19)(H,20,21)/t14-/s2
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52n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116349
PNG
(CHEMBL3604407)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1/C22H28N2O5S/c1-3-14-24(15-4-2)30(28,29)19-12-10-18(11-13-19)21(25)23-20(22(26)27)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H,23,25)(H,26,27)/t20-/s2
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60n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116437
PNG
(CHEMBL3604415)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(O)=O |r|
Show InChI InChI=1/C18H28N2O5S2/c1-4-11-20(12-5-2)27(24,25)15-8-6-14(7-9-15)17(21)19-16(18(22)23)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,21)(H,22,23)/t16-/s2
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61n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116389
PNG
(CHEMBL3604509)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/s2
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78n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116363
PNG
(CHEMBL3604514)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(N)=O |r|
Show InChI InChI=1/C16H25N3O4S2/c1-3-9-19(10-4-2)25(22,23)13-7-5-12(6-8-13)16(21)18-14(11-24)15(17)20/h5-8,14,24H,3-4,9-11H2,1-2H3,(H2,17,20)(H,18,21)/t14-/s2
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80n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116441
PNG
(CHEMBL3604411)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1/C18H26N2O7S/c1-3-11-20(12-4-2)28(26,27)14-7-5-13(6-8-14)17(23)19-15(18(24)25)9-10-16(21)22/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)/t15-/s2
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98n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116434
PNG
(CHEMBL3604418)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1/C19H31N3O4S/c1-5-11-22(12-6-2)27(25,26)16-9-7-15(8-10-16)19(24)21-17(18(20)23)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H2,20,23)(H,21,24)/t17-/s2
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101n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116435
PNG
(CHEMBL3604417)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1/C16H25N3O4S/c1-4-10-19(11-5-2)24(22,23)14-8-6-13(7-9-14)16(21)18-12(3)15(17)20/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,20)(H,18,21)/t12-/s2
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115n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116440
PNG
(CHEMBL3604412)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1/C19H31N3O5S.C2HF3O2/c1-3-13-22(14-4-2)28(26,27)16-10-8-15(9-11-16)18(23)21-17(19(24)25)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H,21,23)(H,24,25);(H,6,7)/t17-;/s2
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124n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116439
PNG
(CHEMBL3604413)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1/C19H31N5O5S.C2HF3O2/c1-3-12-24(13-4-2)30(28,29)15-9-7-14(8-10-15)17(25)23-16(18(26)27)6-5-11-22-19(20)21;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H,23,25)(H,26,27)(H4,20,21,22);(H,6,7)/t16-;/s2
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127n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116443
PNG
(CHEMBL3604409)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/s2
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128n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116361
PNG
(CHEMBL3604404)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H22N2O5S/c1-3-9-17(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)16-11-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
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129n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116434
PNG
(CHEMBL3604418)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1/C19H31N3O4S/c1-5-11-22(12-6-2)27(25,26)16-9-7-15(8-10-16)19(24)21-17(18(20)23)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H2,20,23)(H,21,24)/t17-/s2
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150n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116438
PNG
(CHEMBL3604414)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1/C16H24N2O5S2/c1-3-9-18(10-4-2)25(22,23)13-7-5-12(6-8-13)15(19)17-14(11-24)16(20)21/h5-8,14,24H,3-4,9-11H2,1-2H3,(H,17,19)(H,20,21)/t14-/s2
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202n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50116349
PNG
(CHEMBL3604407)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1/C22H28N2O5S/c1-3-14-24(15-4-2)30(28,29)19-12-10-18(11-13-19)21(25)23-20(22(26)27)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H,23,25)(H,26,27)/t20-/s2
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210n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116386
PNG
(CHEMBL3604511)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1/C18H27N3O6S/c1-3-11-21(12-4-2)28(26,27)14-7-5-13(6-8-14)18(25)20-15(17(19)24)9-10-16(22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H2,19,24)(H,20,25)(H,22,23)/t15-/s2
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215n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116388
PNG
(CHEMBL3604510)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C22H29N3O5S/c1-3-13-25(14-4-2)31(29,30)19-11-7-17(8-12-19)22(28)24-20(21(23)27)15-16-5-9-18(26)10-6-16/h5-12,20,26H,3-4,13-15H2,1-2H3,(H2,23,27)(H,24,28)/t20-/s2
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221n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116434
PNG
(CHEMBL3604418)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1/C19H31N3O4S/c1-5-11-22(12-6-2)27(25,26)16-9-7-15(8-10-16)19(24)21-17(18(20)23)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H2,20,23)(H,21,24)/t17-/s2
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230n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116390
PNG
(CHEMBL3604420)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C24H30N4O4S/c1-3-13-28(14-4-2)33(31,32)19-11-9-17(10-12-19)24(30)27-22(23(25)29)15-18-16-26-21-8-6-5-7-20(18)21/h5-12,16,22,26H,3-4,13-15H2,1-2H3,(H2,25,29)(H,27,30)/t22-/s2
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234n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116435
PNG
(CHEMBL3604417)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1/C16H25N3O4S/c1-4-10-19(11-5-2)24(22,23)14-8-6-13(7-9-14)16(21)18-12(3)15(17)20/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,20)(H,18,21)/t12-/s2
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246n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


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



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116427
PNG
(CHEMBL3604419)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/s2
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264n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116389
PNG
(CHEMBL3604509)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(N)=O |r|
Show InChI InChI=1/C16H25N3O5S/c1-3-9-19(10-4-2)25(23,24)13-7-5-12(6-8-13)16(22)18-14(11-20)15(17)21/h5-8,14,20H,3-4,9-11H2,1-2H3,(H2,17,21)(H,18,22)/t14-/s2
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271n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116439
PNG
(CHEMBL3604413)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1/C19H31N5O5S.C2HF3O2/c1-3-12-24(13-4-2)30(28,29)15-9-7-14(8-10-15)17(25)23-16(18(26)27)6-5-11-22-19(20)21;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H,23,25)(H,26,27)(H4,20,21,22);(H,6,7)/t16-;/s2
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277n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116365
PNG
(CHEMBL3604512)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C19H32N4O4S.C2HF3O2/c1-3-13-23(14-4-2)28(26,27)16-10-8-15(9-11-16)19(25)22-17(18(21)24)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H2,21,24)(H,22,25);(H,6,7)/t17-;/s2
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304n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116436
PNG
(CHEMBL3604416)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20)
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304n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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360n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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431n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116439
PNG
(CHEMBL3604413)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O |r|
Show InChI InChI=1/C19H31N5O5S.C2HF3O2/c1-3-12-24(13-4-2)30(28,29)15-9-7-14(8-10-15)17(25)23-16(18(26)27)6-5-11-22-19(20)21;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H,23,25)(H,26,27)(H4,20,21,22);(H,6,7)/t16-;/s2
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507n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116444
PNG
(CHEMBL3604408)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1/C24H29N3O5S/c1-3-13-27(14-4-2)33(31,32)19-11-9-17(10-12-19)23(28)26-22(24(29)30)15-18-16-25-21-8-6-5-7-20(18)21/h5-12,16,22,25H,3-4,13-15H2,1-2H3,(H,26,28)(H,29,30)/t22-/s2
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611n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116441
PNG
(CHEMBL3604411)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(O)=O |r|
Show InChI InChI=1/C18H26N2O7S/c1-3-11-20(12-4-2)28(26,27)14-7-5-13(6-8-14)17(23)19-15(18(24)25)9-10-16(21)22/h5-8,15H,3-4,9-12H2,1-2H3,(H,19,23)(H,21,22)(H,24,25)/t15-/s2
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652n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116440
PNG
(CHEMBL3604412)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(O)=O |r|
Show InChI InChI=1/C19H31N3O5S.C2HF3O2/c1-3-13-22(14-4-2)28(26,27)16-10-8-15(9-11-16)18(23)21-17(19(24)25)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H,21,23)(H,24,25);(H,6,7)/t17-;/s2
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707n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116436
PNG
(CHEMBL3604416)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(N)=O
Show InChI InChI=1S/C15H23N3O4S/c1-3-9-18(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)17-11-14(16)19/h5-8H,3-4,9-11H2,1-2H3,(H2,16,19)(H,17,20)
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742n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116364
PNG
(CHEMBL3604513)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C19H32N6O4S.C2HF3O2/c1-3-12-25(13-4-2)30(28,29)15-9-7-14(8-10-15)18(27)24-16(17(20)26)6-5-11-23-19(21)22;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H2,20,26)(H,24,27)(H4,21,22,23);(H,6,7)/t16-;/s2
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767n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116442
PNG
(CHEMBL3604410)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1/C22H28N2O6S/c1-3-13-24(14-4-2)31(29,30)19-11-7-17(8-12-19)21(26)23-20(22(27)28)15-16-5-9-18(25)10-6-16/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,23,26)(H,27,28)/t20-/s2
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788n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116360
PNG
(CHEMBL3604405)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1/C16H24N2O5S/c1-4-10-18(11-5-2)24(22,23)14-8-6-13(7-9-14)15(19)17-12(3)16(20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)/t12-/s2
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851n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116438
PNG
(CHEMBL3604414)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1/C16H24N2O5S2/c1-3-9-18(10-4-2)25(22,23)13-7-5-12(6-8-13)15(19)17-14(11-24)16(20)21/h5-8,14,24H,3-4,9-11H2,1-2H3,(H,17,19)(H,20,21)/t14-/s2
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940n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116443
PNG
(CHEMBL3604409)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CO)C(O)=O |r|
Show InChI InChI=1/C16H24N2O6S/c1-3-9-18(10-4-2)25(23,24)13-7-5-12(6-8-13)15(20)17-14(11-19)16(21)22/h5-8,14,19H,3-4,9-11H2,1-2H3,(H,17,20)(H,21,22)/t14-/s2
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942n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116437
PNG
(CHEMBL3604415)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(O)=O |r|
Show InChI InChI=1/C18H28N2O5S2/c1-4-11-20(12-5-2)27(24,25)15-8-6-14(7-9-15)17(21)19-16(18(22)23)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,21)(H,22,23)/t16-/s2
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958n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116359
PNG
(CHEMBL3604406)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1/C19H30N2O5S/c1-5-11-21(12-6-2)27(25,26)16-9-7-15(8-10-16)18(22)20-17(19(23)24)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,20,22)(H,23,24)/t17-/s2
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961n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116442
PNG
(CHEMBL3604410)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O |r|
Show InChI InChI=1/C22H28N2O6S/c1-3-13-24(14-4-2)31(29,30)19-11-7-17(8-12-19)21(26)23-20(22(27)28)15-16-5-9-18(25)10-6-16/h5-12,20,25H,3-4,13-15H2,1-2H3,(H,23,26)(H,27,28)/t20-/s2
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1.18E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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1.25E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116363
PNG
(CHEMBL3604514)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(N)=O |r|
Show InChI InChI=1/C16H25N3O4S2/c1-3-9-19(10-4-2)25(22,23)13-7-5-12(6-8-13)16(21)18-14(11-24)15(17)20/h5-8,14,24H,3-4,9-11H2,1-2H3,(H2,17,20)(H,18,21)/t14-/s2
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2.74E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116437
PNG
(CHEMBL3604415)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(O)=O |r|
Show InChI InChI=1/C18H28N2O5S2/c1-4-11-20(12-5-2)27(24,25)15-8-6-14(7-9-15)17(21)19-16(18(22)23)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H,19,21)(H,22,23)/t16-/s2
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5.92E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116360
PNG
(CHEMBL3604405)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1/C16H24N2O5S/c1-4-10-18(11-5-2)24(22,23)14-8-6-13(7-9-14)15(19)17-12(3)16(20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)/t12-/s2
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7.12E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116349
PNG
(CHEMBL3604407)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1/C22H28N2O5S/c1-3-14-24(15-4-2)30(28,29)19-12-10-18(11-13-19)21(25)23-20(22(26)27)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H,23,25)(H,26,27)/t20-/s2
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7.76E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116359
PNG
(CHEMBL3604406)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1/C19H30N2O5S/c1-5-11-21(12-6-2)27(25,26)16-9-7-15(8-10-16)18(22)20-17(19(23)24)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,20,22)(H,23,24)/t17-/s2
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8.04E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116438
PNG
(CHEMBL3604414)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(O)=O |r|
Show InChI InChI=1/C16H24N2O5S2/c1-3-9-18(10-4-2)25(22,23)13-7-5-12(6-8-13)15(19)17-14(11-24)16(20)21/h5-8,14,24H,3-4,9-11H2,1-2H3,(H,17,19)(H,20,21)/t14-/s2
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9.34E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116361
PNG
(CHEMBL3604404)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H22N2O5S/c1-3-9-17(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)16-11-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
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9.83E+3n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116434
PNG
(CHEMBL3604418)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(N)=O |r|
Show InChI InChI=1/C19H31N3O4S/c1-5-11-22(12-6-2)27(25,26)16-9-7-15(8-10-16)19(24)21-17(18(20)23)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H2,20,23)(H,21,24)/t17-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116427
PNG
(CHEMBL3604419)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI InChI=1/C22H29N3O4S/c1-3-14-25(15-4-2)30(28,29)19-12-10-18(11-13-19)22(27)24-20(21(23)26)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H2,23,26)(H,24,27)/t20-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116365
PNG
(CHEMBL3604512)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCCN)C(N)=O |r|
Show InChI InChI=1/C19H32N4O4S.C2HF3O2/c1-3-13-23(14-4-2)28(26,27)16-10-8-15(9-11-16)19(25)22-17(18(21)24)7-5-6-12-20;3-2(4,5)1(6)7/h8-11,17H,3-7,12-14,20H2,1-2H3,(H2,21,24)(H,22,25);(H,6,7)/t17-;/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116386
PNG
(CHEMBL3604511)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCC(O)=O)C(N)=O |r|
Show InChI InChI=1/C18H27N3O6S/c1-3-11-21(12-4-2)28(26,27)14-7-5-13(6-8-14)18(25)20-15(17(19)24)9-10-16(22)23/h5-8,15H,3-4,9-12H2,1-2H3,(H2,19,24)(H,20,25)(H,22,23)/t15-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116362
PNG
(CHEMBL3604515)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r|
Show InChI InChI=1/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/t16-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116349
PNG
(CHEMBL3604407)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |r|
Show InChI InChI=1/C22H28N2O5S/c1-3-14-24(15-4-2)30(28,29)19-12-10-18(11-13-19)21(25)23-20(22(26)27)16-17-8-6-5-7-9-17/h5-13,20H,3-4,14-16H2,1-2H3,(H,23,25)(H,26,27)/t20-/s2
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116364
PNG
(CHEMBL3604513)
Show SMILES OC(=O)C(F)(F)F.CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r|
Show InChI InChI=1/C19H32N6O4S.C2HF3O2/c1-3-12-25(13-4-2)30(28,29)15-9-7-14(8-10-15)18(27)24-16(17(20)26)6-5-11-23-19(21)22;3-2(4,5)1(6)7/h7-10,16H,3-6,11-13H2,1-2H3,(H2,20,26)(H,24,27)(H4,21,22,23);(H,6,7)/t16-;/s2
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116360
PNG
(CHEMBL3604405)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(O)=O |r|
Show InChI InChI=1/C16H24N2O5S/c1-4-10-18(11-5-2)24(22,23)14-8-6-13(7-9-14)15(19)17-12(3)16(20)21/h6-9,12H,4-5,10-11H2,1-3H3,(H,17,19)(H,20,21)/t12-/s2
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50206509
PNG
(4-Dipropylsulfamoyl-benzoic acid | 4-Dipropylsulfa...)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(O)=O
Show InChI InChI=1S/C13H19NO4S/c1-3-9-14(10-4-2)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-8H,3-4,9-10H2,1-2H3,(H,15,16)
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116388
PNG
(CHEMBL3604510)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O |r|
Show InChI InChI=1/C22H29N3O5S/c1-3-13-25(14-4-2)31(29,30)19-11-7-17(8-12-19)22(28)24-20(21(23)27)15-16-5-9-18(26)10-6-16/h5-12,20,26H,3-4,13-15H2,1-2H3,(H2,23,27)(H,24,28)/t20-/s2
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116363
PNG
(CHEMBL3604514)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CS)C(N)=O |r|
Show InChI InChI=1/C16H25N3O4S2/c1-3-9-19(10-4-2)25(22,23)13-7-5-12(6-8-13)16(21)18-14(11-24)15(17)20/h5-8,14,24H,3-4,9-11H2,1-2H3,(H2,17,20)(H,18,21)/t14-/s2
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116359
PNG
(CHEMBL3604406)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CC(C)C)C(O)=O |r|
Show InChI InChI=1/C19H30N2O5S/c1-5-11-21(12-6-2)27(25,26)16-9-7-15(8-10-16)18(22)20-17(19(23)24)13-14(3)4/h7-10,14,17H,5-6,11-13H2,1-4H3,(H,20,22)(H,23,24)/t17-/s2
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50116361
PNG
(CHEMBL3604404)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)NCC(O)=O
Show InChI InChI=1S/C15H22N2O5S/c1-3-9-17(10-4-2)23(21,22)13-7-5-12(6-8-13)15(20)16-11-14(18)19/h5-8H,3-4,9-11H2,1-2H3,(H,16,20)(H,18,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50116362
PNG
(CHEMBL3604515)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](CCSC)C(N)=O |r|
Show InChI InChI=1/C18H29N3O4S2/c1-4-11-21(12-5-2)27(24,25)15-8-6-14(7-9-15)18(23)20-16(17(19)22)10-13-26-3/h6-9,16H,4-5,10-13H2,1-3H3,(H2,19,22)(H,20,23)/t16-/s2
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116390
PNG
(CHEMBL3604420)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O |r|
Show InChI InChI=1/C24H30N4O4S/c1-3-13-28(14-4-2)33(31,32)19-11-9-17(10-12-19)24(30)27-22(23(25)29)15-18-16-26-21-8-6-5-7-20(18)21/h5-12,16,22,26H,3-4,13-15H2,1-2H3,(H2,25,29)(H,27,30)/t22-/s2
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116435
PNG
(CHEMBL3604417)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1/C16H25N3O4S/c1-4-10-19(11-5-2)24(22,23)14-8-6-13(7-9-14)16(21)18-12(3)15(17)20/h6-9,12H,4-5,10-11H2,1-3H3,(H2,17,20)(H,18,21)/t12-/s2
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'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50116444
PNG
(CHEMBL3604408)
Show SMILES CCCN(CCC)S(=O)(=O)c1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O |r|
Show InChI InChI=1/C24H29N3O5S/c1-3-13-27(14-4-2)33(31,32)19-11-9-17(10-12-19)23(28)26-22(24(29)30)15-18-16-25-21-8-6-5-7-20(18)21/h5-12,16,22,25H,3-4,13-15H2,1-2H3,(H,26,28)(H,29,30)/t22-/s2
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>1.00E+4n/an/an/an/an/an/an/an/a



'G. D'Annunzio' University of Chieti-Pescara

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem 23: 5311-8 (2015)

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