null

SMILES C[C@@H]1OC(=O)N([C@H]1c1ccc(F)c(F)c1)C(=O)NCCCN1CCC(CC1)c1ccc(F)cc1

InChI Key InChIKey=DTYAFBJXWWLRMA-QMHKHESXSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 23 hits for monomerid = 50090647   

TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  0.170nMAssay Description:Tested for binding affinity against recombinant human Alpha-1A adrenergic receptor using [125I]HEAT in competition binding assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZW1K5XPubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  0.170nMAssay Description:Binding constant measured against Alpha-1A adrenergic receptor in human prostate; +++:highly activeMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2SN08GWPubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  0.170nMAssay Description:Binding affinity of the compound towards Alpha1A human adrenergic receptors, using [125I]-HEAT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  0.230nMAssay Description:Binding affinity towards Alpha1A dog adrenergic receptors, using [125I]HEAT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  0.360nMAssay Description:Binding affinity towards Alpha1A rat adrenergic receptors, using [125I]HEAT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi: >45nMAssay Description:Binding affinity towards human alpha-2A-adrenergic receptor, using [3H]rauwolscine as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-2B adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi: >45nMAssay Description:Binding affinity towards human alpha-2B-adrenergic receptor, using [3H]rauwolscine as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-2C adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi: >45nMAssay Description:Binding affinity towards human alpha-2C-adrenergic receptor, using [3H]rauwolscine as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  54nMAssay Description:Binding affinity towards Histamine H1 receptor in human brain tissue preparation, using [3H]rauwolscine as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-1D adrenergic receptor(Rattus norvegicus (Rat))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  62nMAssay Description:Binding affinity towards Alpha1D rat adrenergic receptors, using [125I]HEAT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-1B adrenergic receptor(Rattus norvegicus (rat))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  79nMAssay Description:Binding affinity towards Alpha1B rat adrenergic receptors, using [125I]HEAT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  119nMAssay Description:Tested for binding affinity against recombinant human Alpha-1B adrenergic receptor using [125I]HEAT in competition binding assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZW1K5XPubMed
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  119nMAssay Description:Binding affinity of the compound towards Alpha1B human adrenergic receptors, using [125I]-HEAT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  121nMAssay Description:Binding affinity towards Alpha1B dog adrenergic receptors, using [125I]HEAT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  122nMAssay Description:Binding affinity towards Alpha1D human adrenergic receptors, using [125I]HEAT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  122nMAssay Description:Tested for binding affinity against recombinant human Alpha-1D adrenergic receptor using [125I]-HEAT in competition binding assayMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2ZW1K5XPubMed
TargetAlpha-1D adrenergic receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi:  133nMAssay Description:Binding affinity of the compound towards Alpha1D dog adrenergic receptors, using [125I]-HEAT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
Target5-hydroxytryptamine receptor 1D(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi: >500nMAssay Description:Binding affinity towards 5-HT1D receptor, using [3H]5-HT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
Target5-hydroxytryptamine receptor 2A(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi: >500nMAssay Description:Binding affinity towards 5-hydroxytryptamine 2A receptor using [3H]5-HT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
Target5-hydroxytryptamine receptor 1A(Mus musculus (Mouse))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi: >500nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1A receptor receptor, using [3H]5-HT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
Target5-hydroxytryptamine receptor 1B(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi: >500nMAssay Description:Binding affinity towards 5-hydroxytryptamine 1B receptor using [3H]5-HT as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetHistamine H2 receptor(Homo sapiens (Human))
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+3nMAssay Description:Binding affinity towards human Histamine H2 receptor, using [3H]tiotidine as radioligand.More data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C/alpha-1D/alpha-1S(Rattus norvegicus)
Synaptic Pharmaceutical Corporation

Curated by ChEMBL
LigandPNGBDBM50090647((4S,5S)-4-(3,4-Difluoro-phenyl)-5-methyl-2-oxo-oxa...)copy SMILEScopy InChI
Affinity DataKi: >1.00E+3nMAssay Description:Inhibition of [3H]nitrendipine binding to rat L-type Ca-channel receptorMore data for this Ligand-Target Pair
In DepthDetails
BindingDB Entry DOI: 10.7270/Q2PZ582KPubMed