BDBM50286776 CHEMBL4169450

SMILES C\C(CN(C[C@H]1Cc2ccccc2CN1)[C@H]1CCCc2cccnc12)=C(\F)CN

InChI Key InChIKey=MLQQKXMYXPIYTH-UHFFFAOYSA-N

Data  5 IC50

  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 5 hits for monomerid = 50286776   

TargetCytochrome P450 2D6(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50286776(CHEMBL4169450)
Affinity DataIC50: 110nMAssay Description:Inhibition of recombinant human CYP2D6 expressed in insect microsomes using AMMC as substrate preincubated for 30 mins followed by NADPH addition mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50286776(CHEMBL4169450)
Affinity DataIC50: 1.80E+3nMAssay Description:Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of CXCL12-mediated calcium flux incubated for 25 mins followed by CXCL12 ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2020
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M3(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50286776(CHEMBL4169450)
Affinity DataIC50: 1.70E+4nMAssay Description:Antagonist activity at mAChR M3 in human CCRF-CEM cells assessed as inhibition of acetylcholine-mediated calcium flux incubated for 25 mins followed ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50286776(CHEMBL4169450)
Affinity DataIC50: 1.80E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using BFC as substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C8(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50286776(CHEMBL4169450)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP2C8 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2020
Entry Details Article
PubMed