BDBM50090731 CHEMBL3581741::US9259422, 22, R = 3-MePh- BU10112::US9480684, 22, R = 3- MePh- BU10112

SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@]51C[C@](C)([C@H](O)c4cccc(C)c4)[C@]2(OC)C=C1)ccc3O

InChI Key InChIKey=XLXSAKCOAKORKW-YBKDWAIYSA-N

Data  12 KI  2 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50090731   

TargetKappa-type opioid receptor(Homo sapiens (Human))
The University of Bath

US Patent
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  0.0400nM ΔG°:  -14.2kcal/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
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  0.0400nMAssay Description:Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membranes incubated for 1 hr by beta counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
The University of Bath

US Patent
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  0.0400nMpH: 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))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  0.170nMAssay Description:Displacement of [3H]diprenorphine from rat mu opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Rattus norvegicus (rat))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  0.170nM ΔG°:  -13.3kcal/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(Rattus norvegicus (rat))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  0.170nMpH: 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(Rattus norvegicus (rat))
The University of Bath

US Patent
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  0.400nM ΔG°:  -12.8kcal/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
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  0.400nMpH: 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(Rattus norvegicus (rat))
The University of Bath

US Patent
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  0.400nMAssay Description:Displacement of [3H]diprenorphine from rat delta opioid receptor expressed in rat C6 cell membranes incubated for 1 hr by beta counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  79nMAssay Description:Displacement of [3H]nociceptin from human NOP receptor expressed in HEK293 cell membranes incubated for 1 hr by beta counting methodMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  79nM ΔG°:  -9.68kcal/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
TargetNociceptin receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataKi:  79nMpH: 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))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataEC50:  1.40nMAssay Description:Agonist activity at rat mu opioid receptor expressed in rat C6 cell membranes assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNociceptin receptor(Homo sapiens (Human))
University Of Bath

Curated by ChEMBL
LigandPNGBDBM50090731(CHEMBL3581741 | US9259422, 22, R = 3-MePh- BU10112...)
Affinity DataEC50:  14nMAssay Description:Agonist activity at human NOP receptor expressed in HEK293 cell membranes assessed as stimulation of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed