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=FSCMQJGINYDMLP-UHFFFAOYSA-N

Data  13 KI  1 Kd  4 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 21842   

TargetNociceptin receptor(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-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 Depth
Date in BDB:
10/10/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataEC50:  63nMAssay Description:pEC50 for its effect on stimulating GTPgammaS binding to membranes of HEK 293 cells overexpressing rat ORL-1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-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 Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKd:  0.100nMAssay Description:Compound was tested for inhibition against binding of radioligand [leucyl-3H]-OFQ to membrane of human embryonic kidney 293 cells overexpressing rat ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/2/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-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 Depth
Date in BDB:
10/6/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Mouse)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi:  0.00700nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2013
Entry Details
PubMed
TargetNociceptin receptor(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi:  0.0600nMAssay Description:Ability to displace [125I]-Tyr14 at nociceptin (NOP) receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/10/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi:  0.130nM ΔG°:  -13.3kcal/molepH: 7.4 T: 2°CAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed
TargetNociceptin receptor(Mouse)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi:  0.170nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/18/2013
Entry Details
PubMed
TargetNociceptin receptor(Human)
Sri International

Curated by ChEMBL
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi:  0.300nMAssay Description:Affinity for human Opioid receptor like 1 (ORL-1) expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/26/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Rat)
F. Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi:  0.380nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Mouse)
Mcgill University

Curated by PDSP Ki Database
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi:  0.430nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/1/2012
Entry Details
PubMed
TargetMu-type opioid receptor(Human)
Istituto Superiore Di Sanita

LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi:  3.03E+3nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
University of Michigan

Curated by PDSP Ki Database
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Rat)
University of Michigan

Curated by PDSP Ki Database
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Michigan

Curated by PDSP Ki Database
LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/28/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Istituto Superiore Di Sanita

LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi: >1.00E+4nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Istituto Superiore Di Sanita

LigandPNGBDBM21842(OFQ 1-17 | N/OFQ | (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-...)
Affinity DataKi: >1.00E+4nMAssay Description:IC50 values were obtained by fitting the competition binding curves according to a 4-parameter logistic model. Inhibition constants Ki were derived f...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2008
Entry Details Article
PubMed