Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 462.8 BDBM61812Purchase

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 2 hits in this display   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM61812 ((6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlo...) Show SMILES CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O Show InChI InChI=1S/C22H23ClN2O7/c1-13(2)7-19(24-21(26)14-3-5-17(23)6-4-14)22(27)31-11-16-9-18(25(28)29)8-15-10-30-12-32-20(15)16/h3-6,8-9,13,19H,7,10-12H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.54E+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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2SQ8XVD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM61812 ((6-nitro-4H-1,3-benzodioxin-8-yl)methyl 2-[(4-chlo...) Show SMILES CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc(cc2COCOc12)[N+]([O-])=O Show InChI InChI=1S/C22H23ClN2O7/c1-13(2)7-19(24-21(26)14-3-5-17(23)6-4-14)22(27)31-11-16-9-18(25(28)29)8-15-10-30-12-32-20(15)16/h3-6,8-9,13,19H,7,10-12H2,1-2H3,(H,24,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	n/a	n/a	>3.54E+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) Center Affiliation: The Scripps Research Institute (TS...				PubChem Bioassay (2009) BindingDB Entry DOI: 10.7270/Q2251GM6
					More data for this Ligand-Target Pair