BDBM50315305 (S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-aminobutyl)-5,6,7,8-tetrahydroquinolin-8-amine::(S)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,7,8-tetrahydroquinolin-8-yl)butane-1,4-diamine::CHEMBL518924

SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12

InChI Key InChIKey=WVLHHLRVNDMIAR-IBGZPJMESA-N

Data  1 KI  23 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 24 hits for monomerid = 50315305   

TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataKi:  23nMAssay Description:Binding affinity to CXCR4 (unknown origin) assessed as inhibition constantMore data for this Ligand-Target Pair
In DepthDetails PubMed
TargetC-C chemokine receptor type 2(Homo sapiens (Human))
Genzyme

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of radiolabeled MCP1 from CCR2b receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 4(Homo sapiens (Human))
Genzyme

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of radiolabeled TARC from CCR4 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 5(Homo sapiens (Human))
Genzyme

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of radiolabeled MIP1beta from CCR5 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
Genzyme

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of radiolabeled IL8 from CXCR1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 2(Homo sapiens (Human))
Genzyme

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of radiolabeled IL8 from CXCR2 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  30nMAssay Description:Antagonist activity at CXCR4 in human PBMC assessed as inhibition of HIV-1 3B infectionMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  1.60E+3nMAssay Description:Inhibition of recombinant human CYP2D6 expressed in microsomes of insect cells using AMMC as substrate preincubated for 30 mins followed by NADP addi...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >6.67E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  1.64E+3nMAssay Description:Inhibition of recombinant human CYP2D6 expressed in insect cell microsomes using AMMC as substrate pretreated for 30 mins followed by NADPH addition ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  5nMAssay Description:Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDS1alpha-induced calcium flux pretreated for 25 mins followed by SDS1...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >1.70E+4nMAssay Description:Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium flux pretreated for 25 mins followed by ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  5.20nMAssay Description:Antagonist activity at CXCR4 receptor in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins f...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  1.64E+3nMAssay Description:Inhibition of human recombinant CYP2D6 expressed in insect cells using AMMC as substrate preincubated for 30 mins followed by NADPH regenerating syst...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAlpha-2A adrenergic receptor(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of alpha 2A adrenergic receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMu-type opioid receptor(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  1.20E+4nMAssay Description:Inhibition of mu opioid receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetKappa-type opioid receptor(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of kappa opioid receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetD(2) dopamine receptor(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  4.10E+3nMAssay Description:Inhibition of dopamine D2 receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetMuscarinic acetylcholine receptor M2(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  7.50E+3nMAssay Description:Inhibition of M2 mAChR receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetNeuronal acetylcholine receptor subunit alpha-7(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >3.00E+4nMAssay Description:Inhibition of alpha7 nicotinic acetylcholine receptor (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  5.20E+3nMAssay Description:Inhibition of human ERG by [3H]]Astemizole binding assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))TBA
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50:  13nMAssay Description:Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation countingMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-C chemokine receptor type 1(Homo sapiens (Human))
Genzyme

Curated by ChEMBL
LigandPNGBDBM50315305((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Affinity DataIC50: >1.00E+4nMAssay Description:Displacement of radiolabeled MIP1alpha from CCR1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed