BDBM77506 2-keto-6-nitro-N-[1-(tetrahydrofuryl)ethyl]chromene-3-carboxamide::6-nitro-2-oxidanylidene-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide::6-nitro-2-oxo-N-[1-(2-oxolanyl)ethyl]-1-benzopyran-3-carboxamide::6-nitro-2-oxo-N-[1-(oxolan-2-yl)ethyl]chromene-3-carboxamide::6-nitro-2-oxo-N-[1-(tetrahydro-2-furanyl)ethyl]-2H-chromene-3-carboxamide::MLS000684331::SMR000295896::cid_2970929
SMILES: CC(NC(=O)c1cc2cc(ccc2oc1=O)[N+]([O-])=O)C1CCCO1
InChI Key: InChIKey=PYPKJEBAJJXXHF-UHFFFAOYSA-N
Data: 2 EC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Caspase-3 (Homo sapiens (Human)) | BDBM77506 (2-keto-6-nitro-N-[1-(tetrahydrofuryl)ethyl]chromen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 1.34E+4 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2Z31X4P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Caspase-7 (Homo sapiens (Human)) | BDBM77506 (2-keto-6-nitro-N-[1-(tetrahydrofuryl)ethyl]chromen...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | PCBioAssay | n/a | n/a | n/a | n/a | 2.02E+4 | 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 (SRIMSC) Affiliation: The Scripps Research Institute, TSR... | PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q22V2DK6 | |||||||||||
More data for this Ligand-Target Pair |