Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 387.4 BDBM61814Purchase

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))	BDBM61814 (1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(2-nitroph...) Show SMILES COc1ccc(cc1)N1CCN(CC(O)COc2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C20H25N3O5/c1-27-18-8-6-16(7-9-18)22-12-10-21(11-13-22)14-17(24)15-28-20-5-3-2-4-19(20)23(25)26/h2-9,17,24H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	9.49E+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 (2009) BindingDB Entry DOI: 10.7270/Q2SQ8XVD
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM61814 (1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-(2-nitroph...) Show SMILES COc1ccc(cc1)N1CCN(CC(O)COc2ccccc2[N+]([O-])=O)CC1 Show InChI InChI=1S/C20H25N3O5/c1-27-18-8-6-16(7-9-18)22-12-10-21(11-13-22)14-17(24)15-28-20-5-3-2-4-19(20)23(25)26/h2-9,17,24H,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	PCBioAssay	n/a	n/a	n/a	n/a	1.23E+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