BDBM50579579 CHEMBL4853570

SMILES [H][C@@]12CNC[C@]1([H])CN(C2)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12

InChI Key InChIKey=LMZNSQMZQDCPCI-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50579579   

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

Curated by ChEMBL
LigandPNGBDBM50579579(CHEMBL4853570)
Affinity DataIC50: 10nMAssay 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 Depth
Date in BDB:
8/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50579579(CHEMBL4853570)
Affinity DataIC50: 7.81E+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 Depth
Date in BDB:
8/25/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50579579(CHEMBL4853570)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/25/2022
Entry Details Article
PubMed