BDBM50355119 CHEMBL1835772

SMILES CC(C)n1nc(-c2ccc(OCCCN3CCC[C@H]3C)cc2)c2sccc2c1=O

InChI Key InChIKey=PIBBQKCYYNVLJZ-UHFFFAOYSA-N

Data  2 KI  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 7 hits for monomerid = 50355119   

TargetCytochrome P450 3A4(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50355119(CHEMBL1835772)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP3A4More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50355119(CHEMBL1835772)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2D6More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50355119(CHEMBL1835772)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C19More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50355119(CHEMBL1835772)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP2C9More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50355119(CHEMBL1835772)
Affinity DataIC50: 3.00E+4nMAssay Description:Inhibition of CYP1A2More data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2013
Entry Details Article
PubMed
TargetHistamine H3 receptor(Human)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50355119(CHEMBL1835772)
Affinity DataKi:  2.60nMAssay Description:Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2013
Entry Details Article
PubMed
TargetHistamine H3 receptor(Rat)
Cephalon

Curated by ChEMBL
LigandPNGBDBM50355119(CHEMBL1835772)
Affinity DataKi:  8.30nMAssay Description:Displacement of [3H]-NAMH from rat histamine H3 receptor expressed in CHO cellsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
1/10/2013
Entry Details Article
PubMed