BDBM50216142 (2S,4aR,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::(2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,10b-dimethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate::CHEMBL210564

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  8 KI  1 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50216142   

TargetKappa-type opioid receptor(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50216142((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataEC50: >1.00E+3nMAssay Description:Agonist activity at human kappa opioid receptor expressed in CHO cells assessed as increase in U50488-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50216142((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi:  56nMAssay 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
LigandPNGBDBM50216142((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi:  430nMAssay 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
TargetMu-type opioid receptor(Rat)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50216142((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50216142((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]diprenorphine from mouse delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50216142((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Harvard Medical School

Curated by ChEMBL
LigandPNGBDBM50216142((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi: >1.00E+3nMAssay Description:Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells in presence of EGTAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
The University of Iowa

Curated by ChEMBL
LigandPNGBDBM50216142((2S,4aR,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
LigandPNGBDBM50216142((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-6a,1...)
Affinity DataKi: >1.00E+4nMAssay 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