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

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50106194   

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...) Show SMILES O=C1NC(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)	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...) Show SMILES O=C1NC(=O)c2cccc3cccc1c23 Show InChI InChI=1S/C12H7NO2/c14-11-8-5-1-3-7-4-2-6-9(10(7)8)12(15)13-11/h1-6H,(H,13,14,15)	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