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
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 1 (Homo sapiens (Human)) | BDBM50258715 (1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...) | 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 | 1.5 | 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 2 (Homo sapiens (Human)) | BDBM50258715 (1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7.80 | 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 | |||||||||||||
beta-Carbonic Anhydrase (Candida albicans (Yeast)) | BDBM50258715 (1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 64 | 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) | BDBM50258715 (1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 104 | 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 | |||||||||||||
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis) | BDBM50258715 (1-({[5-(Aminosulfonyl)-3-(3-bromophenyl)-1H-indol-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 110 | 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 |