BDBM50144828 5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,4]thiadiazole-2-sulfonic acid amide::CHEMBL307939
SMILES: NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1
InChI Key: InChIKey=PKIBTPDYAFKEOS-UHFFFAOYSA-N
Data: 6 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)) | BDBM50144828 (5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.700 | 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 In vitro inhibitory activity against human carbonic anhydrase II (hCAII) | J Med Chem 47: 2796-804 (2004) Article DOI: 10.1021/jm031116j BindingDB Entry DOI: 10.7270/Q26974BC | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM50144828 (5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.700 | 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 Inhibitory activity against human carbonic anhydrase II | Bioorg Med Chem Lett 14: 2351-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.095 BindingDB Entry DOI: 10.7270/Q2D21Z4S | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (docked) | ||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM50144828 (5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.30 | 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 Inhibitory activity against human carbonic anhydrase IX | Bioorg Med Chem Lett 14: 2351-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.095 BindingDB Entry DOI: 10.7270/Q2D21Z4S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50144828 (5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | 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 Inhibitory activity against human carbonic anhydrase I | Bioorg Med Chem Lett 14: 2351-6 (2004) Article DOI: 10.1016/j.bmcl.2004.01.095 BindingDB Entry DOI: 10.7270/Q2D21Z4S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50144828 (5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 13 | 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 In vitro inhibitory activity against human carbonic anhydrase I (hCAI) | J Med Chem 47: 2796-804 (2004) Article DOI: 10.1021/jm031116j BindingDB Entry DOI: 10.7270/Q26974BC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 4 (Bos taurus (bovine)) | BDBM50144828 (5-(2,3,5,6-Tetrafluoro-benzenesulfonylamino)-[1,3,...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL 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 |
Universit£ degli Studi di Firenze Curated by ChEMBL | Assay Description In vitro inhibitory activity against bovine carbonic anhydrase IV (CAIV) | J Med Chem 47: 2796-804 (2004) Article DOI: 10.1021/jm031116j BindingDB Entry DOI: 10.7270/Q26974BC | |||||||||||
More data for this Ligand-Target Pair |