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BDBM50190249 2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-propionic acid methyl ester::CHEMBL380158

SMILES: COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O

InChI Key: InChIKey=SSCZNHPGVYPRQJ-UHFFFAOYSA-N

Data: 4 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50190249   
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))
BDBM50190249
PNG
(2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-...)
Show SMILES COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O
Show InChI InChI=1S/C11H14ClNO6S2/c1-6-4-10(21(13,17)18)9(5-8(6)12)20(15,16)7(2)11(14)19-3/h4-5,7H,1-3H3,(H2,13,17,18)
PDB
MMDB

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Article
PubMed
244n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA2 by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)

More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (human))
BDBM50190249
PNG
(2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-...)
Show SMILES COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O
Show InChI InChI=1S/C11H14ClNO6S2/c1-6-4-10(21(13,17)18)9(5-8(6)12)20(15,16)7(2)11(14)19-3/h4-5,7H,1-3H3,(H2,13,17,18)
PDB
MMDB

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KEGG

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PC sid
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Article
PubMed
1.10E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)

More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (human))
BDBM50190249
PNG
(2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-...)
Show SMILES COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O
Show InChI InChI=1S/C11H14ClNO6S2/c1-6-4-10(21(13,17)18)9(5-8(6)12)20(15,16)7(2)11(14)19-3/h4-5,7H,1-3H3,(H2,13,17,18)
PDB
MMDB

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Article
PubMed
1.61E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)

More data for this
Ligand-Target Pair
Carbonic anhydrase


(Homo sapiens (human))
BDBM50190249
PNG
(2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-...)
Show SMILES COC(=O)C(C)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O
Show InChI InChI=1S/C11H14ClNO6S2/c1-6-4-10(21(13,17)18)9(5-8(6)12)20(15,16)7(2)11(14)19-3/h4-5,7H,1-3H3,(H2,13,17,18)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.80E+3n/an/an/an/an/an/an/an/a



Medical University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of human cloned CA1 by CO2 hydration assay


Bioorg Med Chem Lett 16: 4846-51 (2006)

More data for this
Ligand-Target Pair