BDBM50014995 CHEMBL3262090::US9259422, 13a, R = Ph-BU126::US9480684, 13a, R = Ph- BU126

SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]51CC[C@@]2(OC)[C@]([H])(C1)[C@H](O)c1ccccc1)ccc3O

InChI Key InChIKey=QYHVPWDIPSDDCT-QDVRVZIDSA-N

Data  9 KI  3 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50014995   

TargetMu-type opioid receptor(Rattus norvegicus (rat))
The University of Bath

US Patent
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataKi:  1.25nMpH: 7.4Assay Description:As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Rattus norvegicus (rat))
The University of Bath

US Patent
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataKi:  1.25nM ΔG°:  -12.1kcal/molepH: 7.4 T: 2°CAssay Description:As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataKi:  1.30nMAssay Description:Displacement of [3H]-DAMGO from human mu opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
The University of Bath

US Patent
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataKi:  2.55nM ΔG°:  -11.7kcal/molepH: 7.4 T: 2°CAssay Description:As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDelta-type opioid receptor(Rattus norvegicus (rat))
The University of Bath

US Patent
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataKi:  2.55nMpH: 7.4Assay Description:As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataKi:  2.60nMAssay Description:Displacement of [3H]-DPDPE from human delta opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting analys...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
The University of Bath

US Patent
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataKi:  4.40nM ΔG°:  -11.4kcal/molepH: 7.4 T: 2°CAssay Description:As Alt et al., 2002. Membranes (20 ug) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presence ...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetKappa-type opioid receptor(Homo sapiens (Human))
The University of Bath

US Patent
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataKi:  4.40nMAssay Description:Displacement of [3H]-U69,593 from human kappa opioid receptor transfected in CHO cells after 60 mins by beta-plate liquid scintillation counting anal...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
The University of Bath

US Patent
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataKi:  4.40nMpH: 7.4Assay Description:As Alt et al., 2002. Membranes (20 μg) are incubated in 50 mM Tris-HCl, pH 7.4 with [3H]diprenorphine or [3H]nociceptin in the absence or presen...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetMu-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataEC50:  10nMAssay Description:Agonist activity at human mu opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plate l...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
The University of Bath

US Patent
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataEC50:  1.10nMAssay Description:Agonist activity at human kappa opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetDelta-type opioid receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50014995(CHEMBL3262090 | US9259422, 13a, R = Ph-BU126 | US9...)
Affinity DataEC50:  4.5nMAssay Description:Agonist activity at human delta opioid receptor transfected in CHO cells assessed as stimulation of [35S]GTPgammaS binding after 60 mins by beta-plat...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed