BDBM50449935 CHEMBL4171755

SMILES CC(C)N1CCN(CC1)c1cccc2CN[C@@H](CN(C)[C@H]3CCCc4cccnc34)Cc12

InChI Key InChIKey=OQKZJISBGZLPGQ-UHFFFAOYSA-N

Data  4 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 5 hits for monomerid = 50449935   

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

Curated by ChEMBL
LigandPNGBDBM50449935(CHEMBL4171755)
Affinity DataIC50: 17nMAssay Description:Antagonist activity at CXCR4 in human CCRF-CEM cells assessed as inhibition of SDF-1alpha-induced calcium release preincubated for 25 mins followed b...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50449935(CHEMBL4171755)
Affinity DataIC50: 8.13E+3nMAssay Description:Inhibition of recombinant human CYP2D6 expressed in insect cells microsomes using AMMC as substrate preincubated for 30 mins followed by NADP additio...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetMuscarinic acetylcholine receptor M1/M2/M3/M4/M5(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50449935(CHEMBL4171755)
Affinity DataIC50: 1.67E+4nMAssay Description:Antagonist activity at mAChR in human CCRF-CEM cells assessed as inhibition of acetylcholine-induced calcium release preincubated for 25 mins followe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50449935(CHEMBL4171755)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetC-X-C chemokine receptor type 4(Human)
Emory University

Curated by ChEMBL
LigandPNGBDBM50449935(CHEMBL4171755)
Affinity DataEC50: >3.00E+4nMAssay Description:Agonist activity at CXCR4 in human CCRF-CEM cells assessed as induction of calcium release incubated for 25 mins by calcium flux assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed