BDBM21010 (2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-(benzylcarbamoyl)-2-(1H-indol-3-yl)ethyl]-4-methylpentanamide::C-terminal modified bifunctional peptide, 3::H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-Bzl

SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1

InChI Key InChIKey=VXHMITAKWYIILS-UHFFFAOYSA-N

Data  3 KI  2 EC50  1 Other

  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 = 21010   

TargetSubstance-P receptor(Rat)
University of Arizona Tucson

LigandPNGBDBM21010(H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-Bzl | (2S)-2-{[...)
Affinity DatapH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2008
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Arizona Tucson

LigandPNGBDBM21010(H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-Bzl | (2S)-2-{[...)
Affinity DataKi:  0.650nM ΔG°:  -12.5kcal/mole EC50:  0.710nMpH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2008
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Arizona Tucson

LigandPNGBDBM21010(H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-Bzl | (2S)-2-{[...)
Affinity DataKi:  10nM ΔG°:  -10.9kcal/mole EC50:  17nMpH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2008
Entry Details Article
PubMed
TargetSubstance-P receptor(Human)
University of Arizona Tucson

LigandPNGBDBM21010(H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NH-Bzl | (2S)-2-{[...)
Affinity DataKi:  14nM ΔG°:  -10.7kcal/molepH: 7.4 T: 2°CAssay Description:Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/29/2008
Entry Details Article
PubMed