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Compile Data Set for Download or QSAR

Found 118 hits Enz. Inhib. hit(s) with all data for entry = 50009712   
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))
BDBM50531530
PNG
(CHEMBL4590200)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C9H9N3O3S2/c10-17(13,14)7-3-6(4-16-7)9-11-8(12-15-9)5-1-2-5/h3-5H,1-2H2,(H2,10,13,14)
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0.0890n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531505
PNG
(CHEMBL4560251)
Show SMILES COc1ccccc1-c1noc(n1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H11N3O4S2/c1-19-10-5-3-2-4-9(10)12-15-13(20-16-12)8-6-11(21-7-8)22(14,17)18/h2-7H,1H3,(H2,14,17,18)
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0.130n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531512
PNG
(CHEMBL4552118)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)12-14-11(15-18-12)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17)
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0.240n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531500
PNG
(CHEMBL4559832)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccncc1
Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-9(2-4-11)12-16-13(20-17-12)10-5-7-15-8-6-10/h1-8H,(H2,14,18,19)
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0.300n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531507
PNG
(CHEMBL4464320)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccccn1
Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)10-6-4-9(5-7-10)12-16-13(20-17-12)11-3-1-2-8-15-11/h1-8H,(H2,14,18,19)
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0.310n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531524
PNG
(CHEMBL4551727)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)9-5-3-8(4-6-9)11-14-12(18-15-11)10-2-1-7-19-10/h1-7H,(H2,13,16,17)
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0.360n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531503
PNG
(CHEMBL4440046)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1noc(n1)-c1ccsc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-3-1-2-8(6-10)11-14-12(18-15-11)9-4-5-19-7-9/h1-7H,(H2,13,16,17)
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0.380n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531524
PNG
(CHEMBL4551727)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1cccs1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)9-5-3-8(4-6-9)11-14-12(18-15-11)10-2-1-7-19-10/h1-7H,(H2,13,16,17)
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0.390n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531513
PNG
(CHEMBL4525976)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C11H8N4O3S2/c12-20(16,17)9-5-7(6-19-9)11-14-10(15-18-11)8-3-1-2-4-13-8/h1-6H,(H2,12,16,17)
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0.390n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531528
PNG
(CHEMBL4441149)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-8H,(H2,14,18,19)
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0.420n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531500
PNG
(CHEMBL4559832)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccncc1
Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-9(2-4-11)12-16-13(20-17-12)10-5-7-15-8-6-10/h1-8H,(H2,14,18,19)
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0.440n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531523
PNG
(CHEMBL4454736)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H10N4O3S/c16-9-10-1-3-12(4-2-10)15-18-14(19-22-15)11-5-7-13(8-6-11)23(17,20)21/h1-8H,(H2,17,20,21)
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0.440n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531504
PNG
(CHEMBL4438148)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13N3O4S/c1-21-12-4-2-3-11(9-12)14-17-15(22-18-14)10-5-7-13(8-6-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20)
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0.480n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531527
PNG
(CHEMBL4462653)
Show SMILES Cc1nc(no1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H9N3O3S/c1-6-11-9(12-15-6)7-2-4-8(5-3-7)16(10,13)14/h2-5H,1H3,(H2,10,13,14)
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0.480n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531506
PNG
(CHEMBL4454957)
Show SMILES COc1ccccc1-c1noc(n1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C15H13N3O4S/c1-21-13-5-3-2-4-12(13)14-17-15(22-18-14)10-6-8-11(9-7-10)23(16,19)20/h2-9H,1H3,(H2,16,19,20)
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0.510n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531527
PNG
(CHEMBL4462653)
Show SMILES Cc1nc(no1)-c1ccc(cc1)S(N)(=O)=O
Show InChI InChI=1S/C9H9N3O3S/c1-6-11-9(12-15-6)7-2-4-8(5-3-7)16(10,13)14/h2-5H,1H3,(H2,10,13,14)
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0.530n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531522
PNG
(CHEMBL4468548)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccsc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-3-1-8(2-4-10)11-14-12(18-15-11)9-5-6-19-7-9/h1-7H,(H2,13,16,17)
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0.590n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531523
PNG
(CHEMBL4454736)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C15H10N4O3S/c16-9-10-1-3-12(4-2-10)15-18-14(19-22-15)11-5-7-13(8-6-11)23(17,20)21/h1-8H,(H2,17,20,21)
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0.600n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531514
PNG
(CHEMBL4464763)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H9Cl2N3O3S/c15-11-6-3-9(7-12(11)16)14-18-13(19-22-14)8-1-4-10(5-2-8)23(17,20)21/h1-7H,(H2,17,20,21)
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0.620n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531505
PNG
(CHEMBL4560251)
Show SMILES COc1ccccc1-c1noc(n1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H11N3O4S2/c1-19-10-5-3-2-4-9(10)12-15-13(20-16-12)8-6-11(21-7-8)22(14,17)18/h2-7H,1H3,(H2,14,17,18)
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0.640n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531499
PNG
(CHEMBL4483503)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)11-14-12(18-15-11)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17)
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0.690n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531519
PNG
(CHEMBL4538434)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)10-6-4-9(5-7-10)13-16-12(17-20-13)11-3-1-2-8-15-11/h1-8H,(H2,14,18,19)
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0.720n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531502
PNG
(CHEMBL4454859)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-10(7-9-12)13-16-14(20-17-13)11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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0.740n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531530
PNG
(CHEMBL4590200)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C9H9N3O3S2/c10-17(13,14)7-3-6(4-16-7)9-11-8(12-15-9)5-1-2-5/h3-5H,1-2H2,(H2,10,13,14)
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0.75n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531502
PNG
(CHEMBL4454859)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-10(7-9-12)13-16-14(20-17-13)11-4-2-1-3-5-11/h1-9H,(H2,15,18,19)
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0.770n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531529
PNG
(CHEMBL4515112)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H11N3O4S2/c1-19-10-4-2-3-8(5-10)12-15-13(20-16-12)9-6-11(21-7-9)22(14,17)18/h2-7H,1H3,(H2,14,17,18)
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0.820n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531503
PNG
(CHEMBL4440046)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1noc(n1)-c1ccsc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-3-1-2-8(6-10)11-14-12(18-15-11)9-4-5-19-7-9/h1-7H,(H2,13,16,17)
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0.880n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531526
PNG
(CHEMBL4483414)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1noc(n1)C1CC1
Show InChI InChI=1S/C9H9N3O3S2/c10-17(13,14)7-3-6(4-16-7)8-11-9(15-12-8)5-1-2-5/h3-5H,1-2H2,(H2,10,13,14)
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0.880n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531517
PNG
(CHEMBL4452965)
Show SMILES Cc1nc(no1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C7H7N3O3S2/c1-4-9-7(10-13-4)5-2-6(14-3-5)15(8,11)12/h2-3H,1H3,(H2,8,11,12)
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0.910n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531507
PNG
(CHEMBL4464320)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccccn1
Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)10-6-4-9(5-7-10)12-16-13(20-17-12)11-3-1-2-8-15-11/h1-8H,(H2,14,18,19)
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0.930n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531499
PNG
(CHEMBL4483503)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)11-14-12(18-15-11)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17)
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1.10n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531514
PNG
(CHEMBL4464763)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C14H9Cl2N3O3S/c15-11-6-3-9(7-12(11)16)14-18-13(19-22-14)8-1-4-10(5-2-8)23(17,20)21/h1-7H,(H2,17,20,21)
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1.30n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531520
PNG
(CHEMBL4464928)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)-c1ccsc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-3-1-8(2-4-10)12-14-11(15-18-12)9-5-6-19-7-9/h1-7H,(H2,13,16,17)
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1.40n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531501
PNG
(CHEMBL4563456)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C11H11N3O3S/c12-18(15,16)9-5-3-8(4-6-9)11-13-10(14-17-11)7-1-2-7/h3-7H,1-2H2,(H2,12,15,16)
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1.40n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531521
PNG
(CHEMBL4576680)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)-c1cccs1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)9-5-3-8(4-6-9)12-14-11(15-18-12)10-2-1-7-19-10/h1-7H,(H2,13,16,17)
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1.60n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531517
PNG
(CHEMBL4452965)
Show SMILES Cc1nc(no1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C7H7N3O3S2/c1-4-9-7(10-13-4)5-2-6(14-3-5)15(8,11)12/h2-3H,1H3,(H2,8,11,12)
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1.60n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531512
PNG
(CHEMBL4552118)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-6-9(7-19-10)12-14-11(15-18-12)8-4-2-1-3-5-8/h1-7H,(H2,13,16,17)
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1.70n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531511
PNG
(CHEMBL4579916)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)-c1ccccc1
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-6-11(7-9-12)14-16-13(17-20-14)10-4-2-1-3-5-10/h1-9H,(H2,15,18,19)
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1.80n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531522
PNG
(CHEMBL4468548)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)-c1ccsc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-3-1-8(2-4-10)11-14-12(18-15-11)9-5-6-19-7-9/h1-7H,(H2,13,16,17)
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1.80n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531509
PNG
(CHEMBL4590900)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CC1
Show InChI InChI=1S/C11H11N3O3S/c12-18(15,16)9-5-3-7(4-6-9)10-13-11(17-14-10)8-1-2-8/h3-6,8H,1-2H2,(H2,12,15,16)
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1.90n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531526
PNG
(CHEMBL4483414)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1noc(n1)C1CC1
Show InChI InChI=1S/C9H9N3O3S2/c10-17(13,14)7-3-6(4-16-7)8-11-9(15-12-8)5-1-2-5/h3-5H,1-2H2,(H2,10,13,14)
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2.10n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531529
PNG
(CHEMBL4515112)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H11N3O4S2/c1-19-10-4-2-3-8(5-10)12-15-13(20-16-12)9-6-11(21-7-9)22(14,17)18/h2-7H,1H3,(H2,14,17,18)
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2.20n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531528
PNG
(CHEMBL4441149)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)-c1ccncc1
Show InChI InChI=1S/C13H10N4O3S/c14-21(18,19)11-3-1-10(2-4-11)13-16-12(17-20-13)9-5-7-15-8-6-9/h1-8H,(H2,14,18,19)
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2.70n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531501
PNG
(CHEMBL4563456)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)C1CC1
Show InChI InChI=1S/C11H11N3O3S/c12-18(15,16)9-5-3-8(4-6-9)11-13-10(14-17-11)7-1-2-7/h3-7H,1-2H2,(H2,12,15,16)
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3.60n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50531498
PNG
(CHEMBL4536910)
Show SMILES NS(=O)(=O)c1cccc(c1)-c1noc(n1)-c1ccccc1
Show InChI InChI=1S/C14H11N3O3S/c15-21(18,19)12-8-4-7-11(9-12)13-16-14(20-17-13)10-5-2-1-3-6-10/h1-9H,(H2,15,18,19)
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3.70n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531509
PNG
(CHEMBL4590900)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1noc(n1)C1CC1
Show InChI InChI=1S/C11H11N3O3S/c12-18(15,16)9-5-3-7(4-6-9)10-13-11(17-14-10)8-1-2-8/h3-6,8H,1-2H2,(H2,12,15,16)
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4.10n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531513
PNG
(CHEMBL4525976)
Show SMILES NS(=O)(=O)c1cc(cs1)-c1nc(no1)-c1ccccn1
Show InChI InChI=1S/C11H8N4O3S2/c12-20(16,17)9-5-7(6-19-9)11-14-10(15-18-11)8-3-1-2-4-13-8/h1-6H,(H2,12,16,17)
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4.30n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50531529
PNG
(CHEMBL4515112)
Show SMILES COc1cccc(c1)-c1noc(n1)-c1csc(c1)S(N)(=O)=O
Show InChI InChI=1S/C13H11N3O4S2/c1-19-10-4-2-3-8(5-10)12-15-13(20-16-12)9-6-11(21-7-9)22(14,17)18/h2-7H,1H3,(H2,14,17,18)
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5.40n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 1 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50531520
PNG
(CHEMBL4464928)
Show SMILES NS(=O)(=O)c1ccc(cc1)-c1nc(no1)-c1ccsc1
Show InChI InChI=1S/C12H9N3O3S2/c13-20(16,17)10-3-1-8(2-4-10)12-14-11(15-18-12)9-5-6-19-7-9/h1-7H,(H2,13,16,17)
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5.5n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 2 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
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



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 12 assessed as reduction in CO2 hydration after 15 mins by phenol red staining-based stopped flow assay


Eur J Med Chem 164: 92-105 (2019)


Article DOI: 10.1016/j.ejmech.2018.12.049
BindingDB Entry DOI: 10.7270/Q2R78JPG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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