BDBM100216 (3aS,5S,9aS)-5-(1-benzofuran-2-yl)-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one::(3aS,5S,9aS)-5-(1-benzofuran-2-yl)-2-phenylhexahydro-7H-pyrrolo[3,4-g]pyrrolizin-1(2H)-one::(3aS,5S,9aS)-5-(2-benzofuranyl)-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one::(3aS,5S,9aS)-5-(benzofuran-2-yl)-2-phenyl-3a,4,5,7,8,9-hexahydro-3H-pyrrolo[3,4-h]pyrrolizin-1-one::MLS000734694::SMR000317954::cid_16188788
SMILES: O=C1N(C[C@@H]2C[C@H](N3CCC[C@@]123)c1cc2ccccc2o1)c1ccccc1
InChI Key: InChIKey=JEEXQVRJRBVNDW-LTMIRXACSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Alpha trans-inducing protein (VP16) (Human herpesvirus 1 (strain 17) (HHV-1) (Human her...) | BDBM100216 ((3aS,5S,9aS)-5-(1-benzofuran-2-yl)-2-phenyl-3a,4,5...) | MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 8.54E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | Assay Description Source (MLPCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide... | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2GM85ZT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
COUP transcription factor 2 isoform a (Homo sapiens (Human)) | BDBM100216 ((3aS,5S,9aS)-5-(1-benzofuran-2-yl)-2-phenyl-3a,4,5...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | 737 | n/a | n/a | n/a | n/a | n/a | n/a |
The Scripps Research Institute Molecular Screening Center Curated by PubChem BioAssay | PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q21Z431S | ||||||||||||
More data for this Ligand-Target Pair |