BDBM36108 (R)-propranolol

SMILES CC(C)[NH2+]C[C@@H](O)COc1cccc2ccccc12

InChI Key InChIKey=AQHHHDLHHXJYJD-UHFFFAOYSA-O

Data  1 KI  9 IC50  1 ITC

  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 10 hits for monomerid = 36108   

TargetATP-dependent translocase ABCB1(Human)
Bulgarian Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataIC50: 5.83E+5nMAssay Description:Concentration required for 50% inhibition at binding site of human P-Glycoprotein (P-gp) in one-affinity modelMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataIC50: 170nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor in rat frontal cortex using [3H]8-OH-DPAT as a radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1B(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataIC50: 490nMAssay Description:Binding affinity against 5-HT1B receptor in rat brain membrane using [3H]8-OH-DPAT as a selective ligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D4(Rat)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataIC50: 1.17E+5nMAssay Description:Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D4 expressed in Saccharomyces cerevisiaeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D26(Rat)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataIC50: 420nMAssay Description:Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D2 expressed in Saccharomyces cerevisiaeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D1(Rat)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataIC50: 1.82E+5nMAssay Description:Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D1 expressed in Saccharomyces cerevisiaeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataIC50: 1.90E+3nMAssay Description:Inhibition of MAMC O-dealkylation mediated by human Cytochrome P450 2D6 expressed in human lymphoblastoid cell lineMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetCytochrome P450 2D3(Rat)
Vrije Universiteit

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataIC50: 1.55E+5nMAssay Description:Inhibition of MAMC O-dealkylation mediated by rat Cytochrome P450 2D3 expressed in Saccharomyces cerevisiaeMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/27/2012
Entry Details Article
PubMed
TargetSerotonin 2 (5-HT2) receptor(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataIC50: 7.94E+3nMAssay Description:Binding affinity towards 5-hydroxytryptamine 2 receptor in rat frontal cortex using [3H]ketanserin as radioligandMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/22/2013
Entry Details Article
PubMed
Target5-hydroxytryptamine receptor 1A(Rat)
Merrell Dow Research Institute

Curated by ChEMBL
LigandPNGBDBM36108((R)-propranolol)
Affinity DataKi:  1.70E+3nMAssay Description:Inhibitory activity against 5-hydroxytryptamine 1A receptor of rat hippocampal tissue using [3H]OH-DPAT as radioligand.More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/18/2012
Entry Details Article
PubMed

Activity Spreadsheet -- ITC Data from BindingDB

Found 1 hit for monomerid = 36108   

HostPNGBDBM11(betadex | beta-cyclodextrin)
Japan Science and Technology Agency

GuestPNGBDBM36108((R)-propranolol)
ITC DataΔG°: -2.82kcal/mole −TΔS°: 2.24kcal/mole ΔH°: -5.06kcal/mole logk: 115
pH: 4.8 T: 25.00°C 
In DepthDetails