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Compile Data Set for Download or QSAR

Found 4 hits of ki for monomerid = 50428408   
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))
BDBM50428408
PNG
(CHEMBL2333970)
Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3
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PubMed
40n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


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


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50428408
PNG
(CHEMBL2333970)
Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3
PDB
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PubMed
75n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


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


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50428408
PNG
(CHEMBL2333970)
Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3
PDB
MMDB

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KEGG

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Article
PubMed
83n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


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


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50428408
PNG
(CHEMBL2333970)
Show SMILES CC(C)(F)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C10H15FN2O2S/c1-10(2,11)7-13-16(14,15)9-5-3-8(12)4-6-9/h3-6,13H,7,12H2,1-2H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
174n/an/an/an/an/an/an/an/a



Superacide et Chimie des syst£mes£ team-Universit£ de Poitiers

Curated by ChEMBL


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


Bioorg Med Chem 21: 1555-63 (2013)


Article DOI: 10.1016/j.bmc.2012.05.037
BindingDB Entry DOI: 10.7270/Q25H7HM8
More data for this
Ligand-Target Pair