BDBM50258680 1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carboxamido)-2,4,6-trimethylpyridinium perchlorate::1-({[5-(Aminosulfonyl)-3-(3-chlorophenyl)-1H-indol-2-yl]carbonyl}amino)-2,4,6 trimethylpyridinium perchlorate::CHEMBL467898

SMILES: Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1

InChI Key: InChIKey=FABVMONGQZFVFR-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 = 50258680   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50258680 (1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.970	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 1 (Homo sapiens (Human))	BDBM50258680 (1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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 (mtCA 1) (Mycobacterium tuberculosis)	BDBM50258680 (1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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
beta-Carbonic Anhydrase (Candida albicans (Yeast))	BDBM50258680 (1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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)	BDBM50258680 (1-(3-(3-bromophenyl)-5-sulfamoyl-1H-indole-2-carbo...) Show SMILES Cc1cc(C)[n+](NC(=O)c2[nH]c3ccc(cc3c2-c2cccc(Br)c2)S(N)(=O)=O)c(C)c1 Show InChI InChI=1S/C23H21BrN4O3S/c1-13-9-14(2)28(15(3)10-13)27-23(29)22-21(16-5-4-6-17(24)11-16)19-12-18(32(25,30)31)7-8-20(19)26-22/h4-12H,1-3H3,(H3-,25,26,27,29,30,31)/p+1	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/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