BDBM50106194 1,3-dioxo-1H-benz[de]isoquinoline::1,8-Naphthalimide::1H-benzo[de]isoquinoline-1,3(2H)-dione::BTB12933::Benzo[de]isoquinoline-1,3-dione::CHEMBL339586
SMILES: O=C1NC(=O)c2cccc3cccc1c23
InChI Key: InChIKey=XJHABGPPCLHLLV-UHFFFAOYSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human)) | BDBM50106194 (1,3-dioxo-1H-benz[de]isoquinoline | 1,8-Naphthalim...) | PDB MMDB UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | PubMed | n/a | n/a | 1.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Perugia Curated by ChEMBL | Assay Description The compound was tested for poly(ADP-ribose)polymerase (PARP) inhibition | J Med Chem 44: 3786-94 (2001) BindingDB Entry DOI: 10.7270/Q2B857DN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-hexosaminidase subunit alpha (HexA) (Homo sapiens (Human)) | BDBM50106194 (1,3-dioxo-1H-benz[de]isoquinoline | 1,8-Naphthalim...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | 25 |
Research Institute, Hospital for Sick Children | Assay Description Enzyme assay based on 4-MU substrates with HTS to identify inhibitory compounds for Hex. | Chem Biol 14: 153-64 (2007) Article DOI: 10.1016/j.chembiol.2006.12.006 BindingDB Entry DOI: 10.7270/Q25B00W8 | |||||||||||
More data for this Ligand-Target Pair |