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BDBM50258715 1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::2,4,6-trimethyl-1-(5-sulfamoyl-3-m-tolyl-1H-indole-2-carboxamido)pyridinium perchlorate::CHEMBL468945

SMILES: Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C

InChI Key: InChIKey=VDGJMVWFIKQWDZ-UHFFFAOYSA-O

Data: 5 KI

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50258715   
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 1


(Homo sapiens (Human))
BDBM50258715
PNG
(1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...)
Show SMILES Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H24N4O3S/c1-14-6-5-7-18(12-14)22-20-13-19(32(25,30)31)8-9-21(20)26-23(22)24(29)27-28-16(3)10-15(2)11-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
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1.5n/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
Carbonic anhydrase 2


(Homo sapiens (Human))
BDBM50258715
PNG
(1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...)
Show SMILES Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H24N4O3S/c1-14-6-5-7-18(12-14)22-20-13-19(32(25,30)31)8-9-21(20)26-23(22)24(29)27-28-16(3)10-15(2)11-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
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7.80n/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
beta-Carbonic Anhydrase


(Candida albicans (Yeast))
BDBM50258715
PNG
(1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...)
Show SMILES Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H24N4O3S/c1-14-6-5-7-18(12-14)22-20-13-19(32(25,30)31)8-9-21(20)26-23(22)24(29)27-28-16(3)10-15(2)11-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
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64n/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)
BDBM50258715
PNG
(1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...)
Show SMILES Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H24N4O3S/c1-14-6-5-7-18(12-14)22-20-13-19(32(25,30)31)8-9-21(20)26-23(22)24(29)27-28-16(3)10-15(2)11-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
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104n/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
Carbonic Anhydrase (mtCA 1)


(Mycobacterium tuberculosis)
BDBM50258715
PNG
(1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...)
Show SMILES Cc1cccc(c1)-c1c([nH]c2ccc(cc12)S(N)(=O)=O)C(=O)N[n+]1c(C)cc(C)cc1C
Show InChI InChI=1S/C24H24N4O3S/c1-14-6-5-7-18(12-14)22-20-13-19(32(25,30)31)8-9-21(20)26-23(22)24(29)27-28-16(3)10-15(2)11-17(28)4/h5-13H,1-4H3,(H3-,25,26,27,29,30,31)/p+1
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110n/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