BDBM50309860 (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-(4-aminobutyl)-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::CHEMBL592121
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]-[#6]-[#6]-[#6]-[#7])-[#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=YTUIMLMBFRHNIB-UMGAQBNVSA-N
Data: 1 KI
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/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)) | BDBM50309860 ((3S,6S,9S,12S,15S,18S)-1-((S)-1-((S)-4-amino-2-((2...) | PDB Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 7 | 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 | |||||||||||
More data for this Ligand-Target Pair |