BindingDB PrimarySearch

BDBM50309855 (3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2S,3S)-2-amino-3-methylpentanamido)-4-oxobutanoyl)pyrrolidin-2-yl)-3-sec-butyl-9,15-bis(3-guanidinopropyl)-6,18-bis(4-hydroxybenzyl)-12-isobutyl-1,4,7,10,13,16-hexaoxo-2,5,8,11,14,17-hexaazanonadecan-19-oic acid::CHEMBL591971

SMILES: [#6]-[#6]-[#6@H](-[#6])-[#6@H](-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6@@H](-[#6])-[#6]-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#6](-[#8])=O

InChI Key: InChIKey=LUFFKVJCMJDOBT-ZXCMXKESSA-N

Data: 4 KI

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50309855
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50309855 ((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins				Bioorg Med Chem Lett 20: 950-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.068 BindingDB Entry DOI: 10.7270/Q2V9886H
Universit£ de Sherbrooke Curated by ChEMBL					More data for this Ligand-Target Pair
PPYR1 (Homo sapiens (Human))	BDBM50309855 ((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]Pancreatic polypeptide from human neuropeptide Y4 receptor in human HEK293 cells after 40 mins				Bioorg Med Chem Lett 20: 950-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.068 BindingDB Entry DOI: 10.7270/Q2V9886H
Universit£ de Sherbrooke Curated by ChEMBL					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 2 (Homo sapiens (Human))	BDBM50309855 ((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]PYY from human neuropeptide Y2 receptor expressed in human SK-N-BE2 cells after 40 mins				Bioorg Med Chem Lett 20: 950-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.068 BindingDB Entry DOI: 10.7270/Q2V9886H
Universit£ de Sherbrooke Curated by ChEMBL					More data for this Ligand-Target Pair
Neuropeptide Y receptor type 1 (Homo sapiens (Human))	BDBM50309855 ((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Sherbrooke Curated by ChEMBL					Assay Description Displacement of [125I]NPY from human neuropeptide Y1 receptor expressed in human MCF7 cells after 40 mins				Bioorg Med Chem Lett 20: 950-3 (2010) Article DOI: 10.1016/j.bmcl.2009.12.068 BindingDB Entry DOI: 10.7270/Q2V9886H
Universit£ de Sherbrooke Curated by ChEMBL					More data for this Ligand-Target Pair