BDBM50341448 4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-phthalazin-1-one::AZELASTINE::Astelin::Astepro::CHEMBL639::Optilast::Optivar::Rhinolast::US20230414632, Compound II-a::rac-Azelastine

SMILES CN1CCCC(CC1)n1nc(Cc2ccc(Cl)cc2)c2ccccc2c1=O

InChI Key InChIKey=MBUVEWMHONZEQD-UHFFFAOYSA-N

Data  12 KI  10 IC50  1 Kd

PDB links: 1 PDB ID matches this monomer.

  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 23 hits for monomerid = 50341448   

TargetHistamine H1 receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  1.20nMAssay 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 ArticlePubMedDrugBank

TargetHistamine H1 receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  1.20nMAssay 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 ArticlePubMedDrugBank

TargetHistamine H1 receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  1.26nMAssay 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 ArticlePubMedDrugBank

Target5-hydroxytryptamine receptor 2B(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  20nMAssay Description:Displacement of [3H]mesulergine from recombinant human 5-ht2B expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Rattus norvegicus (Rat))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  50nMAssay Description:Displacement of [3H]prazosin from rat salivary gland adrenergic alpha1a receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  50nMAssay 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 ArticlePubMed
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  50nMAssay 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 ArticlePubMed
TargetAlpha-1B adrenergic receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  50.1nMAssay 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 ArticlePubMed
TargetAlpha-1A adrenergic receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  50.1nMAssay 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 ArticlePubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  148nMAssay 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 ArticlePubMed
TargetHistamine H3 receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  148nMAssay 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 ArticlePubMed
Target5-hydroxytryptamine receptor 2C(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKi:  501nMAssay Description:Displacement of [3H]mesulergine from recombinant human 5-ht2C expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  100nMAssay Description:Displacement of [3H]-Dofetilide from recombinant human ERG expressed in CHOK1 cell membranes incubated for 4 hrs under dark condition by luminescence...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  6.31E+3nMAssay Description:Displacement of [3H]AF-DX 384 from recombinant human M1 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  100nMAssay Description:Displacement of [3H]dofetilide from human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  100nMAssay 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 ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Kanazawa University

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  1.60E+4nMAssay Description:TP_TRANSPORTER: inhibition of Daunorubicin transepithelial transport (basal to apical) (Daunorubicin: 0.035 uM) in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetATP-dependent translocase ABCB1(Homo sapiens (Human))
Kanazawa University

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  3.00E+4nMAssay Description:TP_TRANSPORTER: inhibition of Digoxin transepithelial transport (basal to apical) (Digoxin: 0.025 uM) in MDR1-expressing LLC-PK1 cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  1.00E+3nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetVoltage-dependent L-type calcium channel subunit alpha-1C(Cavia porcellus)
Jagiellonian University

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  2.02E+4nMAssay Description:Inhibition of L-type calcium channel measured using whole-cell patch clamp in guinea pig ventricular myocytesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetLysine--tRNA ligase(Homo sapiens (Human))
Centre National De La Recherche Scientifique

US Patent
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  3.00E+5nMAssay Description:Homogeneous time-resolved fluorescence (HTRF) assays were performed in black, half-area, flat bottom, 96-well microplates (Costar #3694). Human mitoc...More data for this Ligand-Target Pair
In DepthDetails US Patent
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataIC50:  100nMAssay Description:Displacement of labeled dofetilide human ERGMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetHistamine H1 receptor(Homo sapiens (Human))
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341448(4-(4-Chloro-benzyl)-2-(1-methyl-azepan-4-yl)-2H-ph...)
Affinity DataKd:  0.200nMAssay 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 ArticlePubMedDrugBank