BDBM50325650 CHEMBL1224170::S-isopentyl 3-methylbutane-1-sulfinothioate
SMILES: CC(C)CCSS(=O)CCC(C)C
InChI Key: InChIKey=PPSCLEFHDJTMFD-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rhodesain (Trypanosoma brucei rhodesiense) | BDBM50325650 (CHEMBL1224170 | S-isopentyl 3-methylbutane-1-sulfi...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Würzburg Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain | Bioorg Med Chem Lett 20: 5541-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.062 BindingDB Entry DOI: 10.7270/Q2QR4XBW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Procathepsin L (Homo sapiens (Human)) | BDBM50325650 (CHEMBL1224170 | S-isopentyl 3-methylbutane-1-sulfi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Würzburg Curated by ChEMBL | Assay Description Inhibition of cathepsin L | Bioorg Med Chem Lett 20: 5541-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.062 BindingDB Entry DOI: 10.7270/Q2QR4XBW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cathepsin B (Homo sapiens (Human)) | BDBM50325650 (CHEMBL1224170 | S-isopentyl 3-methylbutane-1-sulfi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 1.89E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Würzburg Curated by ChEMBL | Assay Description Inhibition of cathepsin B | Bioorg Med Chem Lett 20: 5541-3 (2010) Article DOI: 10.1016/j.bmcl.2010.07.062 BindingDB Entry DOI: 10.7270/Q2QR4XBW | |||||||||||
More data for this Ligand-Target Pair |