Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 400.8 BDBM42437Purchase

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))	BDBM42437 (1-[1-acetyl-5-(4-chlorophenyl)-6-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C1N(N=C(N(C)N1C(C)=O)C(C)=O)c1ccc(Cl)cc1 |c:11| Show InChI InChI=1S/C20H21ClN4O3/c1-13(26)19-22-24(17-9-7-16(21)8-10-17)20(25(14(2)27)23(19)3)15-5-11-18(28-4)12-6-15/h5-12,20H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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))	BDBM42437 (1-[1-acetyl-5-(4-chlorophenyl)-6-(4-methoxyphenyl)...) Show SMILES COc1ccc(cc1)C1N(N=C(N(C)N1C(C)=O)C(C)=O)c1ccc(Cl)cc1 |c:11| Show InChI InChI=1S/C20H21ClN4O3/c1-13(26)19-22-24(17-9-7-16(21)8-10-17)20(25(14(2)27)23(19)3)15-5-11-18(28-4)12-6-15/h5-12,20H,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	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