BDBM21011 (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-[benzyl(methyl)carbamoyl]-2-(1H-indol-3-yl)ethyl]-4-methylpentanamide::C-terminal modified bifunctional peptide, 4::H-Tyr-D-Ala-Gly-Phe-Pro-Leu-Trp-NMe-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)N(C)Cc1ccccc1

InChI Key InChIKey=GYOWORZEZSLHIN-NATPVWCTSA-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 = 21011   

TargetSubstance-P receptor(Homo sapiens (Human))
University Of Arizona Tucson

LigandPNGBDBM21011((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataKi:  1.60nM ΔG°:  -12.0kcal/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 DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Arizona Tucson

LigandPNGBDBM21011((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataKi:  46nM ΔG°:  -10.0kcal/mole EC50:  29nMpH: 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 DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Arizona Tucson

LigandPNGBDBM21011((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Affinity DataKi:  77nM ΔG°:  -9.70kcal/mole EC50:  150nMpH: 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 DepthDetails ArticlePubMed
TargetSubstance-P receptor(Rattus norvegicus (rat))
University Of Arizona Tucson

LigandPNGBDBM21011((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
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 DepthDetails ArticlePubMed