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Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with Target = 'Carbonic anhydrase 9' and Ligand = 'BDBM50013792'   
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))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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27n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydra...


Eur J Med Chem 82: 47-55 (2014)


Article DOI: 10.1016/j.ejmech.2014.05.039
BindingDB Entry DOI: 10.7270/Q2X63PH6
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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27n/an/an/an/an/an/an/an/a



University of Sassari

Curated by ChEMBL


Assay Description
Inhibition of recombinant human carbonic anhydrase 9 catalytic domain preincubated for 15 mins prior to testing measured for 10 to 100 secs by phenol...


ACS Med Chem Lett 8: 941-946 (2017)


Article DOI: 10.1021/acsmedchemlett.7b00229
BindingDB Entry DOI: 10.7270/Q2ZK5K8P
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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27n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Eur J Med Chem 143: 1931-1941 (2018)


Article DOI: 10.1016/j.ejmech.2017.11.005
BindingDB Entry DOI: 10.7270/Q2HT2RW2
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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27n/an/an/an/an/an/an/an/a



Saint Petersburg State University

Curated by ChEMBL


Assay Description
Inhibition of human CA 9 catalytic domain


Eur J Med Chem 168: 301-314 (2019)


Article DOI: 10.1016/j.ejmech.2019.02.044
BindingDB Entry DOI: 10.7270/Q21C218G
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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Article
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27n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay


Eur J Med Chem 71: 135-47 (2014)


Article DOI: 10.1016/j.ejmech.2013.10.081
BindingDB Entry DOI: 10.7270/Q2086890
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
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27n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay


Bioorg Med Chem 22: 1586-95 (2014)


Article DOI: 10.1016/j.bmc.2014.01.031
BindingDB Entry DOI: 10.7270/Q2F47S3J
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50013792
PNG
(CHEBI:6822 | METHAZOLAMIDE | Neptazane)
Show SMILES CC(=O)\N=c1\sc(nn1C)S(N)(=O)=O
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)/b7-4+
PDB
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KEGG

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PC cid
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UniChem

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Article
PubMed
27n/an/an/an/an/an/an/an/a



Birla Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of human membrane bound carbonic anhydrase 9 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2...


Bioorg Med Chem 21: 5973-82 (2013)


Article DOI: 10.1016/j.bmc.2013.07.044
BindingDB Entry DOI: 10.7270/Q25Q5026
More data for this
Ligand-Target Pair