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Compile Data Set for Download or QSAR

Found 547 hits with Last Name = 'saczewski' and Initial = 'f'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320508
PNG
(4-[N'-(6-Chloro-7-cyano-1,1-dioxo-1,4,2-benzodithi...)
Show SMILES NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cc(C#N)c(Cl)cc2S1 |w:11.11|
Show InChI InChI=1S/C13H9ClN6O4S3/c14-8-4-10-11(3-7(8)5-15)27(23,24)20-13(25-10)19-18-9-1-2-17-6-12(9)26(16,21)22/h1-4,6H,(H,17,18)(H,19,20)(H2,16,21,22)
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3.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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3.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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3.40n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320522
PNG
(4-(1-Methyl-5-tetrazolylthio)pyridine-3-sulfonamid...)
Show SMILES Cn1nnnc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C7H8N6O2S2/c1-13-7(10-11-12-13)16-5-2-3-9-4-6(5)17(8,14)15/h2-4H,1H3,(H2,8,14,15)
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4.20n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320506
PNG
(4-[N'-(1,1-Dioxopyrido[4,3-e]-1,4,2-dithiazin-3-yl...)
Show SMILES NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cnccc2S1 |w:11.11|
Show InChI InChI=1S/C11H10N6O4S3/c12-23(18,19)9-5-13-3-1-7(9)15-16-11-17-24(20,21)10-6-14-4-2-8(10)22-11/h1-6H,(H,13,15)(H,16,17)(H2,12,18,19)
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4.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320522
PNG
(4-(1-Methyl-5-tetrazolylthio)pyridine-3-sulfonamid...)
Show SMILES Cn1nnnc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C7H8N6O2S2/c1-13-7(10-11-12-13)16-5-2-3-9-4-6(5)17(8,14)15/h2-4H,1H3,(H2,8,14,15)
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4.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320519
PNG
(4,4'-thiodipyridine-3-sulfonamide | CHEMBL1164504)
Show SMILES NS(=O)(=O)c1cnccc1Sc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C10H10N4O4S3/c11-20(15,16)9-5-13-3-1-7(9)19-8-2-4-14-6-10(8)21(12,17)18/h1-6H,(H2,11,15,16)(H2,12,17,18)
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4.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320510
PNG
(4-Hydrazino-3-pyridinesulfonamide | CHEMBL1164967)
Show SMILES NNc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O2S/c6-9-4-1-2-8-3-5(4)12(7,10)11/h1-3H,6H2,(H,8,9)(H2,7,10,11)
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4.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320521
PNG
(4-(1,3,4-Thiadiozol-2-ylthio)pyridine-3-sulfonamid...)
Show SMILES NS(=O)(=O)c1cnccc1Sc1nnns1
Show InChI InChI=1S/C6H5N5O2S3/c7-16(12,13)5-3-8-2-1-4(5)14-6-9-10-11-15-6/h1-3H,(H2,7,12,13)
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5.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
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



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320505
PNG
(4-Methoxy-3-pyridinesulfonamide | CHEMBL1165321)
Show SMILES COc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O3S/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3,(H2,7,9,10)
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5.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320505
PNG
(4-Methoxy-3-pyridinesulfonamide | CHEMBL1165321)
Show SMILES COc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O3S/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3,(H2,7,9,10)
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5.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320507
PNG
(4-[N'-(6-Chloro-7-methyl-1,1-dioxo-1,4,2-benzodith...)
Show SMILES Cc1cc2c(SC(NS2(=O)=O)=NNc2ccncc2S(N)(=O)=O)cc1Cl |w:11.12|
Show InChI InChI=1S/C13H12ClN5O4S3/c1-7-4-11-10(5-8(7)14)24-13(19-26(11,22)23)18-17-9-2-3-16-6-12(9)25(15,20)21/h2-6H,1H3,(H,16,17)(H,18,19)(H2,15,20,21)
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5.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320504
PNG
(4-Ethoxy-3-pyridinesulfonamide | CHEMBL1165319)
Show SMILES CCOc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C7H10N2O3S/c1-2-12-6-3-4-9-5-7(6)13(8,10)11/h3-5H,2H2,1H3,(H2,8,10,11)
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5.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320516
PNG
(4-(2-Propynylthio)pyridine-3-sulfonamide | CHEMBL1...)
Show SMILES NS(=O)(=O)c1cnccc1SCC#C
Show InChI InChI=1S/C8H8N2O2S2/c1-2-5-13-7-3-4-10-6-8(7)14(9,11)12/h1,3-4,6H,5H2,(H2,9,11,12)
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6.30n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320503
PNG
(4-(4-Cyanophenoxy)-3-pyridinesulfonamide | CHEMBL1...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C12H9N3O3S/c13-7-9-1-3-10(4-2-9)18-11-5-6-15-8-12(11)19(14,16)17/h1-6,8H,(H2,14,16,17)
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6.30n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320515
PNG
(4-Benzythiopyridine-3-sulfonamide | CHEMBL1164472)
Show SMILES NS(=O)(=O)c1cnccc1SCc1ccccc1
Show InChI InChI=1S/C12H12N2O2S2/c13-18(15,16)12-8-14-7-6-11(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16)
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6.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320518
PNG
(4-Methylthiopyridine-3-sulfonamide | CHEMBL1165117)
Show SMILES CSc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C6H8N2O2S2/c1-11-5-2-3-8-4-6(5)12(7,9)10/h2-4H,1H3,(H2,7,9,10)
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6.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320500
PNG
(4-(2-Methyl-8-quinolinoxy)-3-pyridinesulfonamide |...)
Show SMILES Cc1ccc2cccc(Oc3ccncc3S(N)(=O)=O)c2n1
Show InChI InChI=1S/C15H13N3O3S/c1-10-5-6-11-3-2-4-13(15(11)18-10)21-12-7-8-17-9-14(12)22(16,19)20/h2-9H,1H3,(H2,16,19,20)
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6.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320501
PNG
(4-(Quinolinoxy)-3-pyridinesulfonamide | CHEMBL1165...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1cccc2cccnc12
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)13-9-16-8-6-11(13)20-12-5-1-3-10-4-2-7-17-14(10)12/h1-9H,(H2,15,18,19)
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6.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320502
PNG
(4-(4-Fluorophenoxy)-3-pyridinesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1ccc(F)cc1
Show InChI InChI=1S/C11H9FN2O3S/c12-8-1-3-9(4-2-8)17-10-5-6-14-7-11(10)18(13,15)16/h1-7H,(H2,13,15,16)
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6.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320508
PNG
(4-[N'-(6-Chloro-7-cyano-1,1-dioxo-1,4,2-benzodithi...)
Show SMILES NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cc(C#N)c(Cl)cc2S1 |w:11.11|
Show InChI InChI=1S/C13H9ClN6O4S3/c14-8-4-10-11(3-7(8)5-15)27(23,24)20-13(25-10)19-18-9-1-2-17-6-12(9)26(16,21)22/h1-4,6H,(H,17,18)(H,19,20)(H2,16,21,22)
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7.20n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320503
PNG
(4-(4-Cyanophenoxy)-3-pyridinesulfonamide | CHEMBL1...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1ccc(cc1)C#N
Show InChI InChI=1S/C12H9N3O3S/c13-7-9-1-3-10(4-2-9)18-11-5-6-15-8-12(11)19(14,16)17/h1-6,8H,(H2,14,16,17)
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7.20n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320509
PNG
(4-[2-(4-Sulfamoylphenyl)ethylamino]-3-pyridinosulf...)
Show SMILES NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H16N4O4S2/c14-22(18,19)11-3-1-10(2-4-11)5-8-17-12-6-7-16-9-13(12)23(15,20)21/h1-4,6-7,9H,5,8H2,(H,16,17)(H2,14,18,19)(H2,15,20,21)
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7.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320499
PNG
(4-(N-Oxide-2-pyridylthio)pyridine-3-sulfonamide | ...)
Show SMILES NS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-]
Show InChI InChI=1S/C10H9N3O3S2/c11-18(15,16)9-7-12-5-4-8(9)17-10-3-1-2-6-13(10)14/h1-7H,(H2,11,15,16)
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7.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320521
PNG
(4-(1,3,4-Thiadiozol-2-ylthio)pyridine-3-sulfonamid...)
Show SMILES NS(=O)(=O)c1cnccc1Sc1nnns1
Show InChI InChI=1S/C6H5N5O2S3/c7-16(12,13)5-3-8-2-1-4(5)14-6-9-10-11-15-6/h1-3H,(H2,7,12,13)
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7.70n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320512
PNG
(4-(5-Methyl-2-pirazolino)-3-pyridinesulfonamide | ...)
Show SMILES CC1CC=NN1c1ccncc1S(N)(=O)=O |c:3|
Show InChI InChI=1S/C9H12N4O2S/c1-7-2-5-12-13(7)8-3-4-11-6-9(8)16(10,14)15/h3-7H,2H2,1H3,(H2,10,14,15)
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7.80n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320502
PNG
(4-(4-Fluorophenoxy)-3-pyridinesulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1ccc(F)cc1
Show InChI InChI=1S/C11H9FN2O3S/c12-8-1-3-9(4-2-8)17-10-5-6-14-7-11(10)18(13,15)16/h1-7H,(H2,13,15,16)
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7.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10882
PNG
(6-ethoxy-1,3-benzothiazole-2-sulfonamide | CHEMBL1...)
Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O
Show InChI InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
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8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320507
PNG
(4-[N'-(6-Chloro-7-methyl-1,1-dioxo-1,4,2-benzodith...)
Show SMILES Cc1cc2c(SC(NS2(=O)=O)=NNc2ccncc2S(N)(=O)=O)cc1Cl |w:11.12|
Show InChI InChI=1S/C13H12ClN5O4S3/c1-7-4-11-10(5-8(7)14)24-13(19-26(11,22)23)18-17-9-2-3-16-6-12(9)25(15,20)21/h2-6H,1H3,(H,16,17)(H,18,19)(H2,15,20,21)
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8.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320511
PNG
(4-(Methylhydrazino)-3-pyridinesulfonamide | CHEMBL...)
Show SMILES CNNc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O2S/c1-8-10-5-2-3-9-4-6(5)13(7,11)12/h2-4,8H,1H3,(H,9,10)(H2,7,11,12)
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8.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320501
PNG
(4-(Quinolinoxy)-3-pyridinesulfonamide | CHEMBL1165...)
Show SMILES NS(=O)(=O)c1cnccc1Oc1cccc2cccnc12
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)13-9-16-8-6-11(13)20-12-5-1-3-10-4-2-7-17-14(10)12/h1-9H,(H2,15,18,19)
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9.10n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320520
PNG
(4-(6-Nitrobenzothiazol-2-ylthio)pyridine-3-sulfona...)
Show SMILES NS(=O)(=O)c1cnccc1Sc1nc2ccc(cc2s1)[N+]([O-])=O
Show InChI InChI=1S/C12H8N4O4S3/c13-23(19,20)11-6-14-4-3-9(11)21-12-15-8-2-1-7(16(17)18)5-10(8)22-12/h1-6H,(H2,13,19,20)
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9.60n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50320515
PNG
(4-Benzythiopyridine-3-sulfonamide | CHEMBL1164472)
Show SMILES NS(=O)(=O)c1cnccc1SCc1ccccc1
Show InChI InChI=1S/C12H12N2O2S2/c13-18(15,16)12-8-14-7-6-11(12)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H2,13,15,16)
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9.90n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320510
PNG
(4-Hydrazino-3-pyridinesulfonamide | CHEMBL1164967)
Show SMILES NNc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C5H8N4O2S/c6-9-4-1-2-8-3-5(4)12(7,10)11/h1-3H,6H2,(H,8,9)(H2,7,10,11)
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10.1n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320517
PNG
(4-(Cyanomethylthio)pyridine-3-sulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1cnccc1SCC#N
Show InChI InChI=1S/C7H7N3O2S2/c8-2-4-13-6-1-3-10-5-7(6)14(9,11)12/h1,3,5H,4H2,(H2,9,11,12)
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11.7n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320514
PNG
(4-(Carbamolymethylthio)pyridine-3-sulfonamide | CH...)
Show SMILES NC(=O)CSc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O3S2/c8-7(11)4-14-5-1-2-10-3-6(5)15(9,12)13/h1-3H,4H2,(H2,8,11)(H2,9,12,13)
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11.8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320513
PNG
(4-(Allylamino)-3-pyridinesulfonamide | CHEMBL11649...)
Show SMILES NS(=O)(=O)c1cnccc1NCC=C
Show InChI InChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13)
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12n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
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



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320499
PNG
(4-(N-Oxide-2-pyridylthio)pyridine-3-sulfonamide | ...)
Show SMILES NS(=O)(=O)c1cnccc1Sc1cccc[n+]1[O-]
Show InChI InChI=1S/C10H9N3O3S2/c11-18(15,16)9-7-12-5-4-8(9)17-10-3-1-2-6-13(10)14/h1-7H,(H2,11,15,16)
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13.8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10881
PNG
(CHEMBL288100 | MZA3 | Methazolamide | Methazolamid...)
Show SMILES CC(=O)N=c1sc(nn1C)S(N)(=O)=O |w:3.2|
Show InChI InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)
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14n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM10890
PNG
(1-N-(3-chloro-1H-indol-7-yl)benzene-1,4-disulfonam...)
Show SMILES NS(=O)(=O)c1ccc(cc1)S(=O)(=O)Nc1cccc2c(Cl)c[nH]c12
Show InChI InChI=1S/C14H12ClN3O4S2/c15-12-8-17-14-11(12)2-1-3-13(14)18-24(21,22)10-6-4-9(5-7-10)23(16,19)20/h1-8,17-18H,(H2,16,19,20)
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15n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


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


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320509
PNG
(4-[2-(4-Sulfamoylphenyl)ethylamino]-3-pyridinosulf...)
Show SMILES NS(=O)(=O)c1ccc(CCNc2ccncc2S(N)(=O)=O)cc1
Show InChI InChI=1S/C13H16N4O4S2/c14-22(18,19)11-3-1-10(2-4-11)5-8-17-12-6-7-16-9-13(12)23(15,20)21/h1-4,6-7,9H,5,8H2,(H,16,17)(H2,14,18,19)(H2,15,20,21)
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15.1n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320517
PNG
(4-(Cyanomethylthio)pyridine-3-sulfonamide | CHEMBL...)
Show SMILES NS(=O)(=O)c1cnccc1SCC#N
Show InChI InChI=1S/C7H7N3O2S2/c8-2-4-13-6-1-3-10-5-7(6)14(9,11)12/h1,3,5H,4H2,(H2,9,11,12)
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15.5n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320516
PNG
(4-(2-Propynylthio)pyridine-3-sulfonamide | CHEMBL1...)
Show SMILES NS(=O)(=O)c1cnccc1SCC#C
Show InChI InChI=1S/C8H8N2O2S2/c1-2-5-13-7-3-4-10-6-8(7)14(9,11)12/h1,3-4,6H,5H2,(H2,9,11,12)
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15.6n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320512
PNG
(4-(5-Methyl-2-pirazolino)-3-pyridinesulfonamide | ...)
Show SMILES CC1CC=NN1c1ccncc1S(N)(=O)=O |c:3|
Show InChI InChI=1S/C9H12N4O2S/c1-7-2-5-12-13(7)8-3-4-11-6-9(8)16(10,14)15/h3-7H,2H2,1H3,(H2,10,14,15)
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15.7n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320511
PNG
(4-(Methylhydrazino)-3-pyridinesulfonamide | CHEMBL...)
Show SMILES CNNc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C6H10N4O2S/c1-8-10-5-2-3-9-4-6(5)13(7,11)12/h2-4,8H,1H3,(H,9,10)(H2,7,11,12)
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15.8n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320514
PNG
(4-(Carbamolymethylthio)pyridine-3-sulfonamide | CH...)
Show SMILES NC(=O)CSc1ccncc1S(N)(=O)=O
Show InChI InChI=1S/C7H9N3O3S2/c8-7(11)4-14-5-1-2-10-3-6(5)15(9,12)13/h1-3H,4H2,(H2,8,11)(H2,9,12,13)
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15.9n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50320506
PNG
(4-[N'-(1,1-Dioxopyrido[4,3-e]-1,4,2-dithiazin-3-yl...)
Show SMILES NS(=O)(=O)c1cnccc1NN=C1NS(=O)(=O)c2cnccc2S1 |w:11.11|
Show InChI InChI=1S/C11H10N6O4S3/c12-23(18,19)9-5-13-3-1-7(9)15-16-11-17-24(20,21)10-6-14-4-2-8(10)22-11/h1-6H,(H,13,15)(H,16,17)(H2,12,18,19)
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16.1n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50320513
PNG
(4-(Allylamino)-3-pyridinesulfonamide | CHEMBL11649...)
Show SMILES NS(=O)(=O)c1cnccc1NCC=C
Show InChI InChI=1S/C8H11N3O2S/c1-2-4-11-7-3-5-10-6-8(7)14(9,12)13/h2-3,5-6H,1,4H2,(H,10,11)(H2,9,12,13)
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16.9n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay


Eur J Med Chem 45: 2396-404 (2010)


Article DOI: 10.1016/j.ejmech.2010.02.020
BindingDB Entry DOI: 10.7270/Q2M908W8
More data for this
Ligand-Target Pair
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