BDBM50341447 4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(hexahydro-1H-azepin-1-yl)propyl]oxy}phenyl)butyl]-2-pyrrolidinyl}methyl)-1(2H)-phthalazinone::CHEMBL1767164

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

InChI Key InChIKey=YANGEESWIGIKOP-UHFFFAOYSA-N

Data  11 KI  9 IC50  1 Kd

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 50341447   

TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataIC50: 50.1nMAssay Description:Displacement of labeled dofetilide human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataIC50: 50.1nMAssay Description:Displacement of [3H]dofetilide from human ERGMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
8/19/2018
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataIC50: 40nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataIC50: 3.00E+3nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataIC50: 300nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetHistamine H2 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataIC50: 1.00E+4nMAssay Description:Binding affinity to human histamine H2 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataKi:  0.251nMAssay Description:Binding affinity to human histamine H3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
8/19/2018
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
12/3/2011
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
8/19/2018
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetHistamine H1 receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
Affinity DataKi:  15.8nMAssay Description:Binding affinity to human histamine H1 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAlpha-1B adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
8/19/2018
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetAlpha-1A adrenergic receptor(Human)
Glaxosmithkline

Curated by ChEMBL
LigandPNGBDBM50341447(4-[(4-Chlorophenyl)methyl]-2-({(2R)-1-[4-(4-{[3-(h...)
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 Depth
Date in BDB:
8/19/2018
Entry Details Article
PubMed