BDBM50072287 (3S,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahydro-cyclopenta[b]furan-2-one::CHEMBL318001
SMILES: [#6]\[#6](-[#6])=[#6]\[#6](=O)-[#6]-[#6@H]-1-[#6]-2-[#6]-[#6]-[#6]-[#6@@H]-2-[#8]-[#6]-1=O
InChI Key: InChIKey=FRPFDONKAHIRLY-RAMGSTBQSA-N
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Trypsin-1 (Homo sapiens (Human)) | BDBM50072287![]() ((3S,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahydro-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 33 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development Curated by ChEMBL | Assay Description Inhibition of trypsin | Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50072287![]() ((3S,6aS)-3-(4-Methyl-2-oxo-pent-3-enyl)-hexahydro-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet ![]() | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 8: 2955-60 (1999) Article DOI: 10.1016/S0960-894X(98)00531-9 BindingDB Entry DOI: 10.7270/Q2JQ105F | |||||||||||
More data for this Ligand-Target Pair |