BDBM50072283 (3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan-2-one::CHEMBL101030
SMILES: O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1
InChI Key: InChIKey=JYGJKZKLNWLLRD-AGIUHOORSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Chymotrypsin (Homo sapiens (Human)) | BDBM50072283 ((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | >100 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoWellcome Research and Development Curated by ChEMBL | Assay Description Compound was evaluated for the inhibition of Chymotrypsinogen | 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)) | BDBM50072283 ((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 73 | 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 | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50072283 ((3S,3aR,6aS)-3-Benzyl-hexahydro-cyclopenta[b]furan...) | 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 | 0.600 | 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 |