BDBM21842 (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S,3R)-2-[(2S)-2-(2-{2-[(2S)-2-amino-3-phenylpropanamido]acetamido}acetamido)-3-phenylpropanamido]-3-hydroxybutanamido]acetamido}propanamido]-5-carbamimidamidopentanamido]hexanamido]-3-hydroxypropanamido]propanamido]-5-carbamimidamidopentanamido]hexanamido]-4-methylpentanamido]propanamido]butanediamido]-4-carbamoylbutanoic acid::N/OFQ::OFQ 1-17::OFQ/N::Orphanin FQ::[125I]-nociceptin::nociceptin

SMILES [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6@H](-[#6]-[#8])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@@H](-[#7])-[#6]-c1ccccc1)-[#6@@H](-[#6])-[#8])-[#6](=O)-[#7]-[#6@@H](-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6](-[#7])=O)-[#6](-[#8])=O

InChI Key InChIKey=PULGYDLMFSFVBL-SMFNREODSA-N

Data  13 KI  1 Kd  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 21842   

TargetNociceptin receptor(Homo sapiens (Human))
Sri International

Curated by ChEMBL
LigandPNGBDBM21842((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Affinity DataEC50:  0.0800nMAssay Description:Compound was evaluated for increase in [35S]GTP-gamma-S, binding for human ORL1 receptor carried out in CHO cell membranes ; Nd: no dataMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Sri International

Curated by ChEMBL
LigandPNGBDBM21842((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Affinity DataEC50:  0.450nMAssay Description:Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
Sri International

Curated by ChEMBL
LigandPNGBDBM21842((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Affinity DataEC50:  4nMAssay Description:Concentration required to stimulate [35S]GTP-gamma-S, binding to human NOP receptor in cell membraneMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(RAT)
University of Michigan

Curated by PDSP Ki Database
LigandPNGBDBM21842((2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2...)
Affinity DataEC50:  63nMAssay Description:Affinity for alpha4-beta1 integrin from HL60 cell lysateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed