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BDBM50258678 1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(4-fluorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL513854

SMILES: Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1

InChI Key: InChIKey=OLTPRSGJHXAYBO-UHFFFAOYSA-O

Data: 5 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 5 hits for monomerid = 50258678   
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))
BDBM50258678
PNG
(1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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0.960n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay


J Med Chem 52: 4063-7 (2009)


Article DOI: 10.1021/jm9004016
BindingDB Entry DOI: 10.7270/Q2736QTJ
More data for this
Ligand-Target Pair
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50258678
PNG
(1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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3.20n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by by stopped flow CO2 hydration assay


J Med Chem 52: 4063-7 (2009)


Article DOI: 10.1021/jm9004016
BindingDB Entry DOI: 10.7270/Q2736QTJ
More data for this
Ligand-Target Pair
Carbonic anhydrase 1


(Homo sapiens (Human))
BDBM50258678
PNG
(1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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20.9n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay


J Med Chem 52: 4063-7 (2009)


Article DOI: 10.1021/jm9004016
BindingDB Entry DOI: 10.7270/Q2736QTJ
More data for this
Ligand-Target Pair
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258678
PNG
(1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
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29n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay


Bioorg Med Chem Lett 20: 2508-11 (2010)


Article DOI: 10.1016/j.bmcl.2010.02.103
BindingDB Entry DOI: 10.7270/Q23F4PS4
More data for this
Ligand-Target Pair
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)


(Mycobacterium tuberculosis)
BDBM50258678
PNG
(1-(3-(4-chlorophenyl)-5-sulfamoyl-1H-indole-2-carb...)
Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2ccc(Cl)cc2)S(N)(=O)=O)c(C)c1
Show InChI InChI=1S/C23H21ClN4O3S/c1-13-10-14(2)28(15(3)11-13)27-23(29)22-21(16-4-6-17(24)7-5-16)19-12-18(32(25,30)31)8-9-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1
KEGG

UniProtKB/TrEMBL

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PC sid
UniChem
Article
PubMed
77n/an/an/an/an/an/an/an/a



Istanbul University

Curated by ChEMBL


Assay Description
Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by by stopped flow CO2 hydration assay


J Med Chem 52: 4063-7 (2009)


Article DOI: 10.1021/jm9004016
BindingDB Entry DOI: 10.7270/Q2736QTJ
More data for this
Ligand-Target Pair