BDBM21017 Bifunctional Peptide Ligand, 1 (TY003)::H-Tyr-D-Ala-Gly-Phe-Phe-Pro-Leu-Trp-O-3,5-Bzl(CF3)2::[3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]propanamido]acetamido}-3-phenylpropanamido]-3-phenylpropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoate

SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=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)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F

InChI Key InChIKey=KNNCZVVJJSCZNH-UHFFFAOYSA-N

Data  3 KI  2 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21017   

TargetSubstance-P receptor(Rat)
University of Arizona Tucson

LigandPNGBDBM21017([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[(2S...)
Affinity DataKi:  0.880nM ΔG°:  -12.3kcal/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
TargetDelta-type opioid receptor(Human)
University of Arizona Tucson

LigandPNGBDBM21017([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[(2S...)
Affinity DataKi:  15nM ΔG°:  -10.7kcal/mole EC50:  21nMpH: 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

LigandPNGBDBM21017([3,5-bis(trifluoromethyl)phenyl]methyl (2S)-2-[(2S...)
Affinity DataKi:  28nM ΔG°:  -10.3kcal/mole EC50:  59nMpH: 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