BDBM50443545 CHEMBL3091683

SMILES C(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNCc1ccccn1

InChI Key InChIKey=DBUIDMKLHBXFJG-IZLXSDGUSA-N

Data  5 IC50  1 EC50

  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 6 hits for monomerid = 50443545   

TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50443545(CHEMBL3091683)
Affinity DataIC50:  1nMAssay Description:Antagonist activity at CXCR4 in human Chem-1 cells assessed as inhibition of SDF-1alpha-mediated calcium flux preincubated for 10 mins by FLIPR assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50443545(CHEMBL3091683)
Affinity DataIC50:  120nMAssay Description:Antagonist activity at CXCR4 in human MAGI-CCR5 cells assessed as inhibition of HIV-1 3B entry after 2 to 6 days by beta-galactosidase reporter gene ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50443545(CHEMBL3091683)
Affinity DataEC50: >3.00E+4nMAssay Description:Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50443545(CHEMBL3091683)
Affinity DataIC50:  4.50E+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
LigandPNGBDBM50443545(CHEMBL3091683)
Affinity DataIC50:  350nMAssay 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
TargetC-X-C chemokine receptor type 4(Homo sapiens (Human))
Emory University

Curated by ChEMBL
LigandPNGBDBM50443545(CHEMBL3091683)
Affinity DataIC50:  90nMAssay Description:Antagonist activity at human CXCR4 in CCRF-CEM cells assessed as decrease in SDF-1alpha stimulated Ca2+ flux preincubated for 25 mins followed by SDF...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed