BDBM50270286 CHEMBL4094400

SMILES CC(C)(CCN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)CNC1CCC(F)(F)CC1

InChI Key InChIKey=BCTNZAWHTKKRHH-UHFFFAOYSA-N

Data  6 IC50  1 EC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50270286   

TargetCytochrome P450 2C19(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50270286(CHEMBL4094400)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)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
LigandPNGBDBM50270286(CHEMBL4094400)
Affinity DataIC50: 2.04E+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 Depth
Date in BDB:
3/22/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50270286(CHEMBL4094400)
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
LigandPNGBDBM50270286(CHEMBL4094400)
Affinity DataIC50: 168nMAssay 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 3A4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50270286(CHEMBL4094400)
Affinity DataIC50: 5.58E+3nMAssay 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
TargetCytochrome P450 2C8(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50270286(CHEMBL4094400)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50270286(CHEMBL4094400)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/22/2020
Entry Details Article
PubMed