BDBM50189138 (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate::(2S,4aS,6aR,7R,9S,10aS,10bR)-9-(Butyryloxy)-2-(3-furanyl)-dodecahydro-6a,10b-dimethyl-4,10-dioxo-2H-naphtho[2,1-c]pyran-7-carboxylic Acid Methyl Ester::CHEMBL379138

SMILES CCCC(=O)O[C@H]1C[C@@H](C(=O)OC)[C@]2(C)CC[C@H]3C(=O)O[C@@H](C[C@]3(C)[C@H]2C1=O)c1ccoc1

InChI Key InChIKey=HFDUOBCTKDZEPL-UHFFFAOYSA-N

Data  4 KI  1 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 5 hits for monomerid = 50189138   

TargetKappa-type opioid receptor(Human)
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50189138((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Affinity DataEC50:  9.90nMAssay Description:Enhancement of [35S]GTP-gamma-S binding to human KOR expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50189138((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Affinity DataKi:  4nMAssay Description:Displacement of [125]OXY from kappa opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50189138((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Affinity DataKi:  4.90nMAssay Description:Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50189138((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Affinity DataKi:  520nMAssay Description:Displacement of [125]OXY from mu opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50189138((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-(butyryloxy)...)
Affinity DataKi:  4.03E+3nMAssay Description:Displacement of [125]OXY from delta opioid receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/11/2010
Entry Details Article
PubMed