BDBM50001680 (C3H5)2 Tyr-Aib-Aib-Phe-Leu::(H2C=CCH2)2-Tyr-Aib-Aib-Phe-Leu::(S)-2-((S)-2-{2-[(S)-2-Diallylamino-3-(4-hydroxy-phenyl)-propionylamino]-2-methyl-propionylamino}-3-phenyl-propionylamino)-4-methyl-pentanoic acid::2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-propionylamino]-2-methyl-propionylamino}-2-methyl-propionylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid (ICI 174864)::2-[2-(2-{2-[2-Diallylamino-3-(4-hydroxy-phenyl)-propionylamino]-propionylamino}-propionylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid (ICI 174864)::2-[2-(4-{4-[2-Diallylamino-3-(4-hydroxy-phenyl)-propionylamino]-butyrylamino}-butyrylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid::CHEMBL47545::ICI-174864

SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(=O)CCCNC(=O)[C@H](Cc1ccc(O)cc1)N(CC=C)CC=C)C(O)=O

InChI Key InChIKey=HSCPVNIEMKUVTK-UHFFFAOYSA-N

Data  1 IC50

  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 1 hit for monomerid = 50001680   

TargetDelta-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50001680(2-[2-(4-{4-[2-Diallylamino-3-(4-hydroxy-phenyl)-pr...)
Affinity DataIC50: 83nMAssay Description:Inverse agonist activity at human cloned delta opioid receptor expressed in CHO cells assessed as inhibition of DPDPE-stimulated [35S]GTP-gamma-S bin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed