BDBM50216132 (2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2-bromofuran-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-benzo[f]isochromene-7-carboxylate::(2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2-bromofuran-3-yl)-6a,10b-dimethyl-4,10-dioxododecahydro-1H-benzo[f]isochromene-7-carboxylate::CHEMBL390935

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)c1ccoc1Br

InChI Key InChIKey=LPLNKDACKRUXCO-WTRWFAFPSA-N

Data  6 KI  3 EC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50216132   

TargetKappa-type opioid receptor(Homo sapiens (Human))
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50216132((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Affinity DataKi:  2.90nMAssay Description:Displacement of [3H]diprenorphine from human KOPR expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50216132((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Affinity DataKi:  3nMAssay Description:Displacement of [125I]IOXY from human kappa opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(MOUSE)
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50216132((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity to mouse DOPR expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50216132((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity to rat MOPR expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
The University Of Iowa

Curated by ChEMBL
LigandPNGBDBM50216132((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Affinity DataKi:  1.45E+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 DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
The University Of Iowa

Curated by ChEMBL
LigandPNGBDBM50216132((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Affinity DataKi:  7.62E+3nMAssay Description:Displacement of [125I]IOXY from human delta opioid receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50216132((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Affinity DataEC50:  50nMAssay Description:Antagonist activity at human kappa opioid receptor expressed in CHO cells by [35S]GTP-gamma-S binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50216132((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Affinity DataEC50:  2.40nMAssay Description:Agonist activity at human KOPR expressed in CHO cells assessed as enhancenment of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Mclean Hospital

Curated by ChEMBL
LigandPNGBDBM50216132((2S,4aR,6aR,7R,9S,10aS,10bR)-methyl 9-acetoxy-2-(2...)
Affinity DataEC50:  0.0400nMAssay Description:Agonist activity at human KOR expressed in CHO cells assessed as inhibition of forskolin-induced cAMP accumulation after 30 mins by luminescence assa...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed