BDBM50084509 2,6-Diethyl-1-{[4-(3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-2-ylidenesulfamoyl)-phenylcarbamoyl]-methyl}-4-phenyl-pyridinium; perchlorate::CHEMBL317256
SMILES: CCc1cc(cc(CC)[n+]1CC(=O)Nc1ccc(cc1)S(=O)(=O)\N=c1\sc(nn1C)S(N)(=O)=O)-c1ccccc1
InChI Key: InChIKey=IXHHOJONZMCEDC-QCWLDUFUSA-O
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)) | BDBM50084509 (2,6-Diethyl-1-{[4-(3-methyl-5-sulfamoyl-3H-[1,3,4]...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi Curated by ChEMBL | Assay Description Inhibitory activity against human carbonic anhydrase II (CA2) | J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic Anhydrase IV (Bos taurus (bovine)) | BDBM50084509 (2,6-Diethyl-1-{[4-(3-methyl-5-sulfamoyl-3H-[1,3,4]...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi Curated by ChEMBL | Assay Description Inhibitory activity against bovine carbonic anhydrase IV (CA4), isolated from bovine lung microsomes | J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM50084509 (2,6-Diethyl-1-{[4-(3-methyl-5-sulfamoyl-3H-[1,3,4]...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi Curated by ChEMBL | Assay Description Inhibitory activity against human carbonic anhydrase I (CA1) | J Med Chem 43: 292-300 (2000) BindingDB Entry DOI: 10.7270/Q22806T7 | |||||||||||
More data for this Ligand-Target Pair |