Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 412.5 BDBM42445Purchase

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))	BDBM42445 (5-tert-butyl-N-[2-(cyclopentylamino)-2-keto-ethyl]...) Show SMILES COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(cc1C)C(C)(C)C Show InChI InChI=1S/C24H32N2O4/c1-16-14-20(24(2,3)4)30-22(16)23(28)26(18-12-8-9-13-19(18)29-5)15-21(27)25-17-10-6-7-11-17/h8-9,12-14,17H,6-7,10-11,15H2,1-5H3,(H,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	PCBioAssay	n/a	n/a	3.04E+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
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM42445 (5-tert-butyl-N-[2-(cyclopentylamino)-2-keto-ethyl]...) Show SMILES COc1ccccc1N(CC(=O)NC1CCCC1)C(=O)c1oc(cc1C)C(C)(C)C Show InChI InChI=1S/C24H32N2O4/c1-16-14-20(24(2,3)4)30-22(16)23(28)26(18-12-8-9-13-19(18)29-5)15-21(27)25-17-10-6-7-11-17/h8-9,12-14,17H,6-7,10-11,15H2,1-5H3,(H,25,27)	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