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BDBM50428406 CHEMBL2333972

SMILES: CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1

InChI Key: InChIKey=LAVRPNASZZLINP-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50428406   
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 2


(Homo sapiens (Human))
BDBM50428406
PNG
(CHEMBL2333972)
Show SMILES CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12ClFN2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
PDB
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PC cid
PC sid
UniChem
Article
PubMed
1.40E+3n/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 12


(Homo sapiens (Human))
BDBM50428406
PNG
(CHEMBL2333972)
Show SMILES CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12ClFN2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
PDB
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UniChem
Article
PubMed
1.52E+3n/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 9


(Homo sapiens (Human))
BDBM50428406
PNG
(CHEMBL2333972)
Show SMILES CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12ClFN2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
PDB
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PubMed
2.47E+3n/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))
BDBM50428406
PNG
(CHEMBL2333972)
Show SMILES CC(F)(Cl)CNS(=O)(=O)c1ccc(N)cc1
Show InChI InChI=1S/C9H12ClFN2O2S/c1-9(10,11)6-13-16(14,15)8-4-2-7(12)3-5-8/h2-5,13H,6,12H2,1H3
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
5.18E+3n/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