BDBM50216144 (2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,10b-dimethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate::CHEMBL226731

SMILES COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@@H]1C(=O)O[C@@H](C[C@]21C)c1nc(C)no1

InChI Key InChIKey=ZSVADCKXEHDXBE-UHFFFAOYSA-N

Data  4 KI

  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 4 hits for monomerid = 50216144   

TargetKappa-type opioid receptor(Human)
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50216144((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi:  990nMAssay Description:Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50216144((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi:  1.53E+3nMAssay Description:Antagonist activity at human mu opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50216144((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50216144((2S,4aS,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi: >1.00E+4nMAssay Description:Displacement of [125I]IOXY from human mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/10/2012
Entry Details Article
PubMed