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BDBM50190242 2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-propionic acid::CHEMBL385073

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

InChI Key: InChIKey=PVHJHKPTLMGSMI-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 = 50190242   
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))
BDBM50190242
PNG
(2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-...)
Show SMILES CC(C(O)=O)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O
Show InChI InChI=1S/C10H12ClNO6S2/c1-5-3-9(20(12,17)18)8(4-7(5)11)19(15,16)6(2)10(13)14/h3-4,6H,1-2H3,(H,13,14)(H2,12,17,18)
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PC cid
PC sid
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Article
PubMed
806n/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)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic anhydrase 12


(Homo sapiens (Human))
BDBM50190242
PNG
(2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-...)
Show SMILES CC(C(O)=O)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O
Show InChI InChI=1S/C10H12ClNO6S2/c1-5-3-9(20(12,17)18)8(4-7(5)11)19(15,16)6(2)10(13)14/h3-4,6H,1-2H3,(H,13,14)(H2,12,17,18)
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3.05E+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)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic anhydrase 9


(Homo sapiens (Human))
BDBM50190242
PNG
(2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-...)
Show SMILES CC(C(O)=O)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O
Show InChI InChI=1S/C10H12ClNO6S2/c1-5-3-9(20(12,17)18)8(4-7(5)11)19(15,16)6(2)10(13)14/h3-4,6H,1-2H3,(H,13,14)(H2,12,17,18)
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5.00E+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)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50190242
PNG
(2-(5-chloro-4-methyl-2-sulfamoyl-benzenesulfonyl)-...)
Show SMILES CC(C(O)=O)S(=O)(=O)c1cc(Cl)c(C)cc1S(N)(=O)=O
Show InChI InChI=1S/C10H12ClNO6S2/c1-5-3-9(20(12,17)18)8(4-7(5)11)19(15,16)6(2)10(13)14/h3-4,6H,1-2H3,(H,13,14)(H2,12,17,18)
PDB
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2.73E+4n/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)


Article DOI: 10.1016/j.bmcl.2006.06.064
BindingDB Entry DOI: 10.7270/Q2794493
More data for this
Ligand-Target Pair