BDBM50270294 CHEMBL4059622

SMILES C(NCc1ccc(CN(C[C@H]2Cc3ccccc3CN2)[C@H]2CCCc3cccnc23)cc1)C1CCOCC1

InChI Key InChIKey=SGYSZCMQJNBMFO-UHFFFAOYSA-N

Data  3 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 4 hits for monomerid = 50270294   

TargetCytochrome P450 3A4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50270294(CHEMBL4059622)
Affinity DataIC50: 994nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50270294(CHEMBL4059622)
Affinity DataEC50: >3.00E+4nMAssay Description:Agonist activity at CXCR4 in human CCRF-CEM cells assessed as induction of Ca2+ flux measured for 90 secs by calcium dye-based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50270294(CHEMBL4059622)
Affinity DataIC50: 183nMAssay 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 Depth
Date in BDB:
3/22/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50270294(CHEMBL4059622)
Affinity DataIC50: 403nMAssay 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 Depth
Date in BDB:
3/22/2020
Entry Details Article
PubMed