BDBM50000787 (1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydroxy-12-oxa-4-azapentacyclo[9.6.1.0^{1,13}.0^{5,17}.0^{7,18}]octadeca-7(18),8,10-trien-14-one::NALTREXONE

SMILES Oc1ccc2C[C@H]3N(CC4CC4)CC[C@@]45[C@@H](Oc1c24)C(=O)CC[C@@]35O

InChI Key InChIKey=DQCKKXVULJGBQN-UHFFFAOYSA-N

Data  20 KI  5 IC50

  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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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 25 hits for monomerid = 50000787   

TargetNeuronal acetylcholine receptor subunit alpha-4(Rat)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataIC50: 1.41E+5nMAssay Description:Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in CA1 stratum radiatum interneuronsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataIC50: 2.50E+4nMAssay Description:Blockage of Nicotinic acetylcholine receptor alpha-7 noncompetitively in hippocampal primary culturesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Rat)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataIC50: 1.39E+5nMAssay Description:Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in cultured hippocampal neuronsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-4(Rat)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataIC50: 3.10E+4nMAssay Description:Blockage of Nicotinic acetylcholine receptor alpha4-beta2 noncompetitively in acute hippocampal slicesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataIC50: 3.00E+4nMAssay Description:Blockage of Nicotinic acetylcholine receptor alpha-7 noncompetitively in cultured hippocampal neuronsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/10/2009
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  0.0420nMAssay Description:Antagonist activity at kappa opioid receptor expressed in HEK293 cells assessed as inhibition of compound 16-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  0.0825nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetMu-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  0.300nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells by visible spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetMu-type opioid receptor(Rat)
R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  0.460nMAssay Description:Displacement of [3H]DAMGO from mu opioid receptor in rat brain homogenate after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Rat)
R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  0.509nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetMu-type opioid receptor(Mouse)
TBA

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  0.646nMAssay Description:Displacement of [3H]-DAMGO from mouse MOR expressed in HEK293 cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  0.740nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/13/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  0.810nMAssay Description:Displacement of [3H]U69593 from kappa opioid receptor expressed in HEK293 cells by visible spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetKappa-type opioid receptor(Rat)
R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  1.07nMAssay Description:Displacement of [3H]U69593 from kappa opioid receptor in rat brain homogenate after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  2nMAssay Description:Antagonist activity at human mu opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetMu-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  3.60nMAssay Description:Antagonist activity at mu opioid receptor expressed in HEK293 cells assessed as inhibition of compound 11-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  8.02nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetKappa-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  10nMAssay Description:Antagonist activity at human kappa opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Rat)
R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  11nMAssay Description:Displacement of [3H]DPDPE from delta opioid receptor in rat brain homogenate after 1 hr by liquid scintillation countingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  16nMAssay Description:Displacement of [3H]DPDPE from delta opioid receptor expressed in HEK293 cells by visible spectrophotometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  25nMAssay Description:Antagonist activity at human delta opioid receptor expressed in CHO cells assessed as [35S]GTPgammaS binding by SPAMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/22/2013
Entry Details Article
PubMed
TargetDelta-type opioid receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi:  67nMAssay Description:Antagonist activity at delta opioid receptor expressed in HEK293 cells assessed as inhibition of compound 14-induced [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetNociceptin receptor(Human)
Human Biomolecular Research Institute

Curated by ChEMBL
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi: >1.00E+4nMAssay Description:Inverse agonist activity at NOP expressed in HEK293 cells assessed as inhibition of [35S]GTPgammaS bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/27/2012
Entry Details Article
PubMed
TargetNorepinephrine transporter(Rat)
R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed
TargetSodium-dependent serotonin transporter(Rat)
R. W. Johnson Pharmaceutical Research Institute

Curated by PDSP Ki Database
LigandPNGBDBM50000787((1S,5R,13R,17S)-4-(cyclopropylmethyl)-10,17-dihydr...)
Affinity DataKi: >1.00E+4nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2011
Entry Details
PubMed