Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 336.4 BDBM42431Purchase

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 2 (Homo sapiens (Human))	BDBM42431 (MLS000589265 | N'-(2-Butyl-2-hydroxy-hexanoyl)...) Show SMILES CCCCC(O)(CCCC)C(=O)NN(C(=O)OC)c1ccccc1 Show InChI InChI=1S/C18H28N2O4/c1-4-6-13-18(23,14-7-5-2)16(21)19-20(17(22)24-3)15-11-9-8-10-12-15/h8-12,23H,4-7,13-14H2,1-3H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.50E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2V1235Z
					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM42431 (MLS000589265 | N'-(2-Butyl-2-hydroxy-hexanoyl)...) Show SMILES CCCCC(O)(CCCC)C(=O)NN(C(=O)OC)c1ccccc1 Show InChI InChI=1S/C18H28N2O4/c1-4-6-13-18(23,14-7-5-2)16(21)19-20(17(22)24-3)15-11-9-8-10-12-15/h8-12,23H,4-7,13-14H2,1-3H3,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	>3.50E+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 (MLSCN Center Name): The Scripps Research Institute Molecular Screening Center Affiliation: The Scripps Research Institute, TSRI Assay Provide...				PubChem Bioassay (2008) BindingDB Entry DOI: 10.7270/Q2ZS2TWK
					More data for this Ligand-Target Pair