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Compile Data Set for Download or QSAR

Found 468 hits from Bezmialem Vakif University   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492460
PNG
(CHEMBL2402776)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.240n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492476
PNG
(CHEMBL1518649)
Show SMILES COc1ccc(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O4S/c1-23-15-6-2-14(3-7-15)12-17(20)19-11-10-13-4-8-16(9-5-13)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
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0.25n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492471
PNG
(CHEMBL2402764)
Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)
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0.310n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492464
PNG
(CHEMBL2402768)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
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0.320n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492460
PNG
(CHEMBL2402776)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.410n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492476
PNG
(CHEMBL1518649)
Show SMILES COc1ccc(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O4S/c1-23-15-6-2-14(3-7-15)12-17(20)19-11-10-13-4-8-16(9-5-13)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
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0.430n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492465
PNG
(CHEMBL2402767)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C14H13BrN2O3S/c15-13-4-2-1-3-10(13)9-14(18)17-11-5-7-12(8-6-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
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0.440n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492477
PNG
(CHEMBL2402758)
Show SMILES COc1ccc(CC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-6-2-12(3-7-14)10-16(19)18-11-13-4-8-15(9-5-13)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)
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0.450n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492474
PNG
(CHEMBL2402753)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1
Show InChI InChI=1S/C14H12Br2N2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.520n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492467
PNG
(CHEMBL2402756)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H15ClN2O3S/c16-13-5-1-11(2-6-13)9-15(19)18-10-12-3-7-14(8-4-12)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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0.530n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492481
PNG
(CHEMBL2402754)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.540n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492467
PNG
(CHEMBL2402756)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H15ClN2O3S/c16-13-5-1-11(2-6-13)9-15(19)18-10-12-3-7-14(8-4-12)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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0.570n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492456
PNG
(CHEMBL2402760)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c17-15-4-2-1-3-13(15)11-16(20)19-10-9-12-5-7-14(8-6-12)23(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
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0.570n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492454
PNG
(CHEMBL2402763)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1
Show InChI InChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.610n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492470
PNG
(CHEMBL2402771)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1
Show InChI InChI=1S/C14H12BrFN2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.620n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492481
PNG
(CHEMBL2402754)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.620n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492471
PNG
(CHEMBL2402764)
Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)
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0.630n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492464
PNG
(CHEMBL2402768)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
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0.640n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492481
PNG
(CHEMBL2402754)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Br)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15BrN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.690n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492455
PNG
(CHEMBL2402762)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C10H9ClN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.700n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492454
PNG
(CHEMBL2402763)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1
Show InChI InChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.700n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492456
PNG
(CHEMBL2402760)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c17-15-4-2-1-3-13(15)11-16(20)19-10-9-12-5-7-14(8-6-12)23(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
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0.720n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492454
PNG
(CHEMBL2402763)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccccc2Br)s1
Show InChI InChI=1S/C10H9BrN4O3S2/c11-7-4-2-1-3-6(7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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0.740n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492461
PNG
(CHEMBL2402775)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Cl)c1
Show InChI InChI=1S/C14H12BrClN2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.740n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492460
PNG
(CHEMBL2402776)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2Cl)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15ClN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.740n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492471
PNG
(CHEMBL2402764)
Show SMILES COc1ccc(CC(=O)Nc2nnc(s2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C11H12N4O4S2/c1-19-8-4-2-7(3-5-8)6-9(16)13-10-14-15-11(20-10)21(12,17)18/h2-5H,6H2,1H3,(H2,12,17,18)(H,13,14,16)
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0.760n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492466
PNG
(CHEMBL2402757)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-4-2-1-3-12(14)9-15(19)18-10-11-5-7-13(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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0.770n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492462
PNG
(CHEMBL2402772)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2F)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15FN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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0.780n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492464
PNG
(CHEMBL2402768)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H16N2O4S/c1-21-13-6-2-11(3-7-13)10-15(18)17-12-4-8-14(9-5-12)22(16,19)20/h2-9H,10H2,1H3,(H,17,18)(H2,16,19,20)
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0.790n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492474
PNG
(CHEMBL2402753)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1
Show InChI InChI=1S/C14H12Br2N2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.800n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492476
PNG
(CHEMBL1518649)
Show SMILES COc1ccc(CC(=O)NCCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C17H20N2O4S/c1-23-15-6-2-14(3-7-15)12-17(20)19-11-10-13-4-8-16(9-5-13)24(18,21)22/h2-9H,10-12H2,1H3,(H,19,20)(H2,18,21,22)
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0.810n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492467
PNG
(CHEMBL2402756)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C15H15ClN2O3S/c16-13-5-1-11(2-6-13)9-15(19)18-10-12-3-7-14(8-4-12)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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0.810n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492456
PNG
(CHEMBL2402760)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C16H17BrN2O3S/c17-15-4-2-1-3-13(15)11-16(20)19-10-9-12-5-7-14(8-6-12)23(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
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0.830n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492477
PNG
(CHEMBL2402758)
Show SMILES COc1ccc(CC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-6-2-12(3-7-14)10-16(19)18-11-13-4-8-15(9-5-13)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)
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0.880n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492474
PNG
(CHEMBL2402753)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Br)c1
Show InChI InChI=1S/C14H12Br2N2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.910n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492461
PNG
(CHEMBL2402775)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Cl)c1
Show InChI InChI=1S/C14H12BrClN2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.910n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492473
PNG
(CHEMBL2402752)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1
Show InChI InChI=1S/C14H12BrClN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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0.940n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492477
PNG
(CHEMBL2402758)
Show SMILES COc1ccc(CC(=O)NCc2ccc(cc2)S(N)(=O)=O)cc1
Show InChI InChI=1S/C16H18N2O4S/c1-22-14-6-2-12(3-7-14)10-16(19)18-11-13-4-8-15(9-5-13)23(17,20)21/h2-9H,10-11H2,1H3,(H,18,19)(H2,17,20,21)
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0.940n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492465
PNG
(CHEMBL2402767)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C14H13BrN2O3S/c15-13-4-2-1-3-10(13)9-14(18)17-11-5-7-12(8-6-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
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0.960n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492466
PNG
(CHEMBL2402757)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-4-2-1-3-12(14)9-15(19)18-10-11-5-7-13(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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1n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492473
PNG
(CHEMBL2402752)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)c(Br)c1
Show InChI InChI=1S/C14H12BrClN2O3S/c15-12-8-11(22(17,20)21)5-6-13(12)18-14(19)7-9-1-3-10(16)4-2-9/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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1.20n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492457
PNG
(CHEMBL1898609)
Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C16H17ClN2O3S/c17-14-5-1-13(2-6-14)11-16(20)19-10-9-12-3-7-15(8-4-12)23(18,21)22/h1-8H,9-11H2,(H,19,20)(H2,18,21,22)
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1.20n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492461
PNG
(CHEMBL2402775)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(Cl)c1
Show InChI InChI=1S/C14H12BrClN2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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1.30n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492455
PNG
(CHEMBL2402762)
Show SMILES NS(=O)(=O)c1nnc(NC(=O)Cc2ccc(Cl)cc2)s1
Show InChI InChI=1S/C10H9ClN4O3S2/c11-7-3-1-6(2-4-7)5-8(16)13-9-14-15-10(19-9)20(12,17)18/h1-4H,5H2,(H2,12,17,18)(H,13,14,16)
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1.30n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492466
PNG
(CHEMBL2402757)
Show SMILES NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C15H15BrN2O3S/c16-14-4-2-1-3-12(14)9-15(19)18-10-11-5-7-13(8-6-11)22(17,20)21/h1-8H,9-10H2,(H,18,19)(H2,17,20,21)
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1.5n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492470
PNG
(CHEMBL2402771)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1
Show InChI InChI=1S/C14H12BrFN2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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1.60n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492462
PNG
(CHEMBL2402772)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2F)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15FN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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1.80n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492462
PNG
(CHEMBL2402772)
Show SMILES COc1ccc(CC(=O)Nc2ccc(cc2F)S(N)(=O)=O)cc1
Show InChI InChI=1S/C15H15FN2O4S/c1-22-11-4-2-10(3-5-11)8-15(19)18-14-7-6-12(9-13(14)16)23(17,20)21/h2-7,9H,8H2,1H3,(H,18,19)(H2,17,20,21)
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1.80n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrases; II & IX


(Homo sapiens (Human))
BDBM50492470
PNG
(CHEMBL2402771)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)c(F)c1
Show InChI InChI=1S/C14H12BrFN2O3S/c15-11-4-2-1-3-9(11)7-14(19)18-13-6-5-10(8-12(13)16)22(17,20)21/h1-6,8H,7H2,(H,18,19)(H2,17,20,21)
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1.90n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (Human))
BDBM50492465
PNG
(CHEMBL2402767)
Show SMILES NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2Br)cc1
Show InChI InChI=1S/C14H13BrN2O3S/c15-13-4-2-1-3-10(13)9-14(18)17-11-5-7-12(8-6-11)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
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2.10n/an/an/an/an/an/an/an/a



Bezmialem Vakif University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay


Bioorg Med Chem 21: 5228-32 (2013)

More data for this
Ligand-Target Pair
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