BDBM16650 N-(4-sulfamoylphenyl)hexanamide::aromatic sulfonamide compound 15
SMILES: CCCCCC(=O)Nc1ccc(cc1)S(N)(=O)=O
InChI Key: InChIKey=YSXLMBQOWQEROH-UHFFFAOYSA-N
Data: 4 KI
PDB links: 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.
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)) | BDBM16650 (N-(4-sulfamoylphenyl)hexanamide | aromatic sulfona...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 18 | 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 2 (Homo sapiens (Human)) | BDBM16650 (N-(4-sulfamoylphenyl)hexanamide | aromatic sulfona...) | 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 | 63 | 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 IV (Bos taurus (bovine)) | BDBM16650 (N-(4-sulfamoylphenyl)hexanamide | aromatic sulfona...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase PC cid PC sid UniChem Patents Similars | Article PubMed | 980 | 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 1 (Homo sapiens (Human)) | BDBM16650 (N-(4-sulfamoylphenyl)hexanamide | aromatic sulfona...) | 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 | 1.42E+4 | -6.61 | n/a | n/a | n/a | n/a | n/a | 7.4 | 25 |
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 |