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SMILES C[C@H](c1c(CCN(C)C)sc2ccccc12)c1ccccn1

InChI Key InChIKey=NANQRVOKMXDMNL-AWEZNQCLSA-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 18 hits for monomerid = 50297309   

TargetHistamine H1 receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataKi:  4nMAssay Description:Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057G0SPubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataKi:  4nMAssay Description:Inhibition of histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26W9BDCPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataKi: >5nMAssay Description:Displacement of [3H]Dofetilide from human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataKi:  5.30nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057G0SPubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataKi:  12nMAssay Description:Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of human ERG expressed in HEK cells assessed as blockade of potassium tail current by standard patch clamp analysisMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataKi:  1.40E+3nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataKi:  4.00E+3nMAssay Description:Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataKi: >5.00E+3nMAssay Description:Displacement of [3H]Dofetilide from human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataIC50: 6.90E+3nMAssay Description:Inhibition of recombinant CYP2D6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataIC50: 5.30E+3nMAssay Description:Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation countingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26W9BDCPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataIC50: 2.80E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26W9BDCPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant CYP3A4 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2P55PG0PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataIC50: 1.40E+3nMAssay Description:Inhibition of human ERG expressed in HEK293 cells by patch-clamp techniqueMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057G0SPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Neurocrine Biosciences

Curated by ChEMBL
LigandPNGBDBM50297309((-)-(R)-N,N-dimethyl-2-(3-(1-(pyridin-2-yl)ethyl)b...)copy SMILEScopy InChI
Affinity DataIC50: 2.82E+4nMAssay Description:Inhibition of recombinant CYP2D6 in presence of NADPH generating systemMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2057G0SPubMed