BDBM16654 1-phenyl-3-(4-sulfamoylphenyl)urea::aromatic sulfonamide compound 19
SMILES: NS(=O)(=O)c1ccc(NC(=O)Nc2ccccc2)cc1
InChI Key: InChIKey=XCGMCYYUHKUQTO-UHFFFAOYSA-N
Data: 11 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 VA (Mus musculus (mouse)) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description An Applied Photophysics stopped-flow instrument has been used for assaying the CA-catalyzed CO2 hydration activity. Phenol red has been used as indic... | J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 67 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita` degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay | J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt... | J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic Anhydrase (mtCA 1) (Mycobacterium tuberculosis) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 356 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay | Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt... | J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita` degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay | J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
PROBABLE TRANSMEMBRANE CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) (Mycobacterium tuberculosis) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | KEGG UniProtKB/TrEMBL GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 758 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay | Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 760 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita` degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay | J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita degli Studi di Firenze | Assay Description Initial rates of 4-nitrophenyl acetate hydrolysis catalyzed by different CA isozymes were monitored spectrophotometrically at 400 nm. A molar absorpt... | J Med Chem 47: 1272-9 (2004) Article DOI: 10.1021/jm031057+ BindingDB Entry DOI: 10.7270/Q2MW2FDP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universita` degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay | J Med Chem 54: 1896-902 (2011) Article DOI: 10.1021/jm101541x BindingDB Entry DOI: 10.7270/Q2CC110M | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM16654 (1-phenyl-3-(4-sulfamoylphenyl)urea | aromatic sulf...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 3.73E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay | Bioorg Med Chem Lett 21: 102-5 (2010) Article DOI: 10.1016/j.bmcl.2010.11.064 BindingDB Entry DOI: 10.7270/Q2WS8TH9 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) |