BDBM47509 5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquinoline-1,3-dione::5-nitro-2-(2-pyrrolidinoethyl)benzo[de]isoquinoline-1,3-quinone::5-nitro-2-[2-(1-pyrrolidinyl)ethyl]benzo[de]isoquinoline-1,3-dione::MLS000766256::Pinafide::SMR000528858::cid_327045

SMILES: [O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23

InChI Key: InChIKey=GBOQUHPYCRYKGV-UHFFFAOYSA-N

Data: 3 IC50  1 EC50

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 4 hits for monomerid = 47509   

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
Sphingosine 1-phosphate receptor 1 (Homo sapiens (Human))	BDBM47509 (5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquin...) Show SMILES [O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	3.11E+3	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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2010) BindingDB Entry DOI: 10.7270/Q2VM49PS
					More data for this Ligand-Target Pair
Protein DAF-12, isoform a (Caenorhabditis elegans)	BDBM47509 (5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquin...) Show SMILES [O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.75E+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: UT Southwestern Assay Provider: David Mangelsdorf,...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2736PK0
					More data for this Ligand-Target Pair
Methyl-CpG binding domain protein 2 (Homo sapiens (Human))	BDBM47509 (5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquin...) Show SMILES [O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	2.02E+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/Q20K2778
					More data for this Ligand-Target Pair
Oxysterols receptor LXR-beta (Homo sapiens (Human))	BDBM47509 (5-nitro-2-(2-pyrrolidin-1-ylethyl)benzo[de]isoquin...) Show SMILES [O-][N+](=O)c1cc2C(=O)N(CCN3CCCC3)C(=O)c3cccc(c1)c23 Show InChI InChI=1S/C18H17N3O4/c22-17-14-5-3-4-12-10-13(21(24)25)11-15(16(12)14)18(23)20(17)9-8-19-6-1-2-7-19/h3-5,10-11H,1-2,6-9H2	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	6.75E+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: UT Southwestern Assay Provider: David Mangelsdorf,...				PubChem Bioassay (2013) BindingDB Entry DOI: 10.7270/Q2TX3D2C
					More data for this Ligand-Target Pair