BDBM50339601 2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylphenethyl)acetamide::2-(3-chloro-4-hydroxyphenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide::CHEMBL606453
SMILES: NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccc(O)c(Cl)c2)cc1
InChI Key: InChIKey=MALIONKMKPITBV-UHFFFAOYSA-N
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 |
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Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50339601 (2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylpheneth...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | MMDB Article PubMed | 18 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay | J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50339601 (2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylpheneth...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | 700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay | J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase 2 (Can2) (Cryptococcus neoformans var. grubii (Filobasidiell...) | BDBM50339601 (2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylpheneth...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | 740 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of Cryptococcus neoformans recombinant Can2 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay | J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
beta-Carbonic Anhydrase (Candida albicans (Yeast)) | BDBM50339601 (2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylpheneth...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | 790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay | J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (Mycobacterium tuberculosis) | BDBM50339601 (2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylpheneth...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay | J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis) | BDBM50339601 (2-(3-chloro-4-hydroxyphenyl)-N-(4-sulfamoylpheneth...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem | Article PubMed | 1.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Griffith University Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay | J Med Chem 54: 1682-92 (2011) Article DOI: 10.1021/jm1013242 BindingDB Entry DOI: 10.7270/Q2NV9JJB | |||||||||||
More data for this Ligand-Target Pair |