BDBM50019830 CHEMBL2372395::[(2-{2-[2-Guanidino-3-(4-hydroxy-phenyl)-propionylamino]-4-methanesulfinyl-butyrylamino}-3-phenyl-propionyl)-methyl-amino]-acetic acid methyl ester

SMILES [#6]-[#8]-[#6](=O)-[#6]-[#7](-[#6])-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6][S+]([#6])[#8-])-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccc(-[#8])cc1)\[#7]=[#6](/[#7])-[#7]

InChI Key InChIKey=IBCIUUJSMYAWBI-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50019830   

TargetMu-type opioid receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50019830(CHEMBL2372395 | [(2-{2-[2-Guanidino-3-(4-hydroxy-p...)
Affinity DataIC50: 23nMAssay Description:Evaluated for the inhibition of [3H]DAGO binding to mu-receptor of guinea pig brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
TBA

Curated by ChEMBL
LigandPNGBDBM50019830(CHEMBL2372395 | [(2-{2-[2-Guanidino-3-(4-hydroxy-p...)
Affinity DataIC50: 150nMAssay Description:Evaluated for the inhibition of [3H]DADLE binding to Opioid receptor delta 1 of guinea pig brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
TBA

Curated by ChEMBL
LigandPNGBDBM50019830(CHEMBL2372395 | [(2-{2-[2-Guanidino-3-(4-hydroxy-p...)
Affinity DataIC50: 1.00E+4nMAssay Description:Evaluated for the inhibition of [3H]EKC binding to Opioid receptor kappa 1 of guinea pig brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/15/2012
Entry Details Article
PubMed