BDBM11043 N-(2-fluoro-4-sulfamoylphenyl)-3-sulfanylpropanamide::reduced monomeric thio of compound 2b::reduced thio H2b
SMILES: NS(=O)(=O)c1ccc(NC(=O)CCS)c(F)c1
InChI Key: InChIKey=BSTAVPKWEITVDL-UHFFFAOYSA-N
Data: 3 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 2 (Homo sapiens (Human)) | BDBM11043 (N-(2-fluoro-4-sulfamoylphenyl)-3-sulfanylpropanami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini-CNR | 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 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM11043 (N-(2-fluoro-4-sulfamoylphenyl)-3-sulfanylpropanami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 15 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Istituto di Biostrutture e Bioimmagini-CNR | 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 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM11043 (N-(2-fluoro-4-sulfamoylphenyl)-3-sulfanylpropanami...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 18 | -10.5 | n/a | n/a | n/a | n/a | n/a | 7.5 | 22 |
Istituto di Biostrutture e Bioimmagini-CNR | 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 49: 5544-51 (2006) Article DOI: 10.1021/jm060531j BindingDB Entry DOI: 10.7270/Q21J9805 | |||||||||||
More data for this Ligand-Target Pair |