null

SMILES Clc1ccc(Cc2nn(C[C@H]3CCCN3CCCCc3ccc(OCCCN4CCCCCC4)cc3)c(=O)c3ccccc23)cc1

InChI Key InChIKey=YANGEESWIGIKOP-UUWRZZSWSA-N

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50341447   

TargetHistamine H3 receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  0.251nMAssay Description:Antagonist activity at human H3 receptor expressed in CHO cells assessed as inhibition of histamine-induced GTPgamma[S] binding by scintillation prox...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4RQCPubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  0.251nMAssay Description:Binding affinity to human histamine H3 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ33RVPubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  0.251nMAssay Description:Antagonist activity at human Histamine H3 receptor expressed in CHO cell membranes assessed as inhibition of histamine-induced [35S]GTPgammaS binding...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DZ0B8QPubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  10nMAssay Description:Antagonist activity at human H1 receptor expressed in CHO cells assessed as inhibition of calcium mobilization by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4RQCPubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  10nMAssay Description:Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6Z2ZPubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  10nMAssay Description:Antagonist activity at human Histamine H1 receptor expressed in CHO cells assessed as inhibition of histamine-induced calcium flux preincubated for 3...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DZ0B8QPubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  15.8nMAssay Description:Binding affinity to human histamine H1 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2VQ33RVPubMed
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  31.6nMAssay Description:Antagonist activity at human adrenergic alpha1B receptor expressed in rat fibroblasts by by plate-based calcium imagingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4RQCPubMed
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  32nMAssay Description:Antagonist activity at adrenergic alpha1B receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DZ0B8QPubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  39.8nMAssay Description:Antagonist activity at human adrenergic alpha1A receptor expressed in rat fibroblasts by by plate-based calcium imagingMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4RQCPubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKi:  40nMAssay Description:Antagonist activity at adrenergic alpha1A receptor (unknown origin) expressed in Rat1 cells assessed as inhibition of phenylephrine-induced Ca2+ flux...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DZ0B8QPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataIC50: 50.1nMAssay Description:Displacement of [3H]dofetilide from human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2NG4RQCPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataIC50: 50nMAssay Description:Displacement of [3H]-dofetilide from human ERG expressed in CHOK1 cell membranes incubated for 4 hrs in dark by luminescent assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2DZ0B8QPubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataIC50: 40nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6Z2ZPubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6Z2ZPubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6Z2ZPubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6Z2ZPubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6Z2ZPubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataKd:  0.794nMAssay Description:Antagonist activity at human recombinant histamine H1 receptor expressed in intact CHO cells assessed as inhibition of histamine-induced cellular cal...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6Z2ZPubMed
TargetHistamine H2 receptor(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to human histamine H2 receptorMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6Z2ZPubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
GlaxoSmithKline Medicines Research Centre

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)copy SMILEScopy InChI
Affinity DataIC50: 50.1nMAssay Description:Displacement of labeled dofetilide human ERGMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2GQ6Z2ZPubMed