BDBM50130563 (3R)-7-Hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl)-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide::(3R)-7-hydroxy-N-(1S)-1-[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl-2-methylpropyl-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide::(3R)-7-hydroxy-N-[(1S)-1-{[(3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethyl-1-piperidinyl]methyl}-2-methylpropyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide::(R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)-3-methylbutan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide::7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {(S)-1-[(3R,4R)-4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-ylmethyl]-2-methyl-propyl}-amide::7-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {1-[4-(3-hydroxy-phenyl)-3,4-dimethyl-piperidin-1-ylmethyl]-2-methyl-propyl}-amide::CHEMBL415247::atrans-(3R,4R)-dimethyl-4-(3-hydroxyphenyl) piperidine

SMILES C[C@H]1CN(CC[C@@]1(C)c2cccc(c2)O)C[C@H](C(C)C)NC(=O)[C@H]3Cc4ccc(cc4CN3)O

InChI Key InChIKey=ZLVXBBHTMQJRSX-UHFFFAOYSA-N

Data  23 KI  3 EC50

PDB links: 2 PDB IDs match this monomer.

  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 26 hits for monomerid = 50130563   

TargetDelta-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataEC50:  380nMAssay Description:Agonist activity at human recombinant delta opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataEC50:  120nMAssay Description:Agonist activity at human recombinant mu opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataEC50:  6nMAssay Description:Agonist activity at human recombinant kappa opioid receptor expressed in CHO cells by [35S]GTPgammaS binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/31/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.0100nMAssay Description:Antagonist activity at kappa opioid receptor (unknown origin) assessed as stimulation of [35S]GTPgammaSMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Guinea pig)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.0200nMAssay Description:Antagonist activity at kappa opioid receptor in guinea pig caudate assessed as inhibition of U69593-stimulated [35S]-GTP[gammaS] bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Guinea pig)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.0200nMAssay Description:Displacement of [3H]U69,593 from kappa opioid receptor in guinea pig brain membranes after 2 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.0300nMAssay Description:Antagonist activity at kappa opioid receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/7/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.0591nMAssay Description:Displacement of [3H]diprenorphine from human opioid kappa receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Guinea pig)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.320nMAssay Description:Inhibition of [3H]U-69593 binding to Opioid receptor kappa 1 of guinea pig brainMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Rat)
University of Caen Normandie

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.320nMAssay Description:Displacement of [3H]U69593 from rat recombinant kappa opioid receptor expressed in CHO cells after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/7/2016
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.320nMAssay Description:Binding affinity towards human cloned Opioid receptor kappa 1 using [3H]U-69593More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetKappa-type opioid receptor(Guinea pig)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.320nMAssay Description:Binding affinity of compound for Opioid receptor kappa 1 was determined using [3H]U-69593 as radioligand from guinea pig caudateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetMu-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  0.960nMAssay Description:Binding affinity towards human cloned Opioid receptor mu 1 using [3H]DAMGOMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Guinea pig)
The Scripps Research Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  2.20nMAssay Description:Antagonist activity at mu opioid receptor in guinea pig caudate assessed as inhibition of DAMGO-stimulated [35S]-GTP[gammaS] bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/9/2015
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  2.20nMAssay Description:Displacement of [3H]DAMGO from mu-opioid receptor in rat brain membranes after 2 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  3.70nMAssay Description:Inhibition of [3H]DAMGO binding to Opioid receptor mu 1 of rat brain tissueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  3.73nMAssay Description:Binding affinity of compound for Opioid receptor mu 1 was determined using [3H]DAMGO as radioligand from rat brain tissueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  4nMAssay Description:Displacement of [3H]diprenorphine from human recombinant mu opioid receptor expressed in HEK cells after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/7/2016
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  12nMAssay Description:Displacement of [3H]diprenorphine from human opioid mu receptor expressed in CHO cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  30nMAssay Description:Binding affinity towards human cloned Opioid receptor delta 1 using [3H]Cl-DPDPEMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  36nMAssay Description:Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in HEK cells after 60 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/7/2016
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  188nMAssay Description:Displacement of [3H]diprenorphine from human opioid delta receptor expressed in HEK293 cells after 120 mins by scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/21/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi: >300nMAssay Description:Displacement of [3H]DADLE from delta-opioid receptor in rat brain membranes after 2 hrsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/17/2020
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  301nMAssay Description:Binding affinity of compound for opioid receptor delta 1 was determined using [3H]DADLE as radioligand from rat brain tissueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
University of Science and Technology

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  301nMAssay Description:Inhibition of [3H]-DADLE binding to Opioid receptor delta 1 of rat brain tissueMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Research Triangle Institute

Curated by ChEMBL
LigandPNGBDBM50130563((R)-7-hydroxy-N-((S)-1-((3R,4R)-4-(3-hydroxyphenyl...)
Affinity DataKi:  8.82E+3nMAssay Description:Displacement of [3H]-astemizole from human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/30/2016
Entry Details Article
PubMed