BDBM50274347 (2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3,14-dihydroxymorphinan-6-yl]-3-(furan-3-yl)-N-methylprop-2-enamide hydrochloride::CHEMBL490665::US10377763, Example 1

SMILES CN([C@@H]1CC[C@]2([C@H]3Cc4ccc(c5c4[C@]2([C@H]1O5)CCN3CC6CC6)O)O)C(=O)/C=C/c7ccoc7

InChI Key InChIKey=XGZZHZMWIXFATA-UHFFFAOYSA-N

Data  10 KI  4 IC50  3 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50274347   

TargetOrexin receptor type 2(Human)
University of Tsukuba

US Patent
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataIC50: 1.00E+4nMAssay Description:The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2020
Entry Details
Go to US Patent

TargetKappa-type opioid receptor(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataEC50:  0.0500nMAssay Description:Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by [35S]-GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetOrexin/Hypocretin receptor type 1(Human)
University of Tsukuba

US Patent
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataIC50: 82.8nMAssay Description:The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2020
Entry Details
Go to US Patent

TargetOrexin receptor type 2(Human)
University of Tsukuba

US Patent
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataIC50: 1.00E+4nMAssay Description:The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2020
Entry Details
Go to US Patent

TargetOrexin/Hypocretin receptor type 1(Human)
University of Tsukuba

US Patent
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataIC50: 1.65E+3nMAssay Description:The Chinese hamster ovary (CHO) cell lines CHOOX1R and CHOOX2R were established by modifying CHO cells to constantly express the NFAT-luciferase gene...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/13/2020
Entry Details
Go to US Patent

TargetKappa-type opioid receptor(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataEC50:  0.00820nMAssay Description:Agonist activity at kappa opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Toray Industries

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataEC50:  1.70nMAssay Description:Agonist activity at mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/10/2020
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Guinea pig)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  0.178nMAssay Description:Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum after 1 hr by liquid scintillation counting analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Mouse)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  0.178nMAssay Description:Displacement of [3H]U69,593 from KOR in mouse whole brain membranes without cerebellumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Human)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  0.238nMAssay Description:Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Guinea pig)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  0.431nMAssay Description:Displacement of [3H]DAMGO from MOR in guinea pig cerebellum membranesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2016
Entry Details Article
PubMed
TargetMu-type opioid receptor(Mouse)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  0.431nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Toray Industries

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  6nMAssay Description:Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2019
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  51nMAssay Description:Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain membranes without cerebellum after 1 hr by liquid scintillation counting an...More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/24/2013
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Mouse)
Kitasato University

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  51nMAssay Description:Displacement of [3H]DPDPE from DOR in mouse whole brain membranes without cerebellumMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2016
Entry Details Article
PubMed
TargetOrexin/Hypocretin receptor type 1(Human)
University of Tsukuba

US Patent
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  250nMAssay Description:Antagonist activity at human OX1R expressed in CHOK1 cells assessed as inhibition of orexin A-induced intracellular calcium level preincubated for 15...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2019
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
University of Tsukuba

Curated by ChEMBL
LigandPNGBDBM50274347((2E)-N-[(5R,6R)-17-(cyclopropylmethyl)-4,5-epoxy-3...)
Affinity DataKi:  693nMAssay Description:Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cell membranes by micro-beta scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/27/2019
Entry Details Article
PubMed