BDBM50112182 CHEMBL3608686

SMILES Cc1nsc(n1)-c1nnc2n1CCN(C(=O)c1ccc(F)cc1)C2(C)C

InChI Key InChIKey=CGCSZFVIPKLGCF-UHFFFAOYSA-N

Data  1 KI  6 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 7 hits for monomerid = 50112182   

TargetCytochrome P450 3A4(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112182(CHEMBL3608686)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112182(CHEMBL3608686)
Affinity DataIC50: 631nMAssay Description:Antagonist activity against human recombinant NK3R expressed in CHO cells by aequorin functional assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112182(CHEMBL3608686)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112182(CHEMBL3608686)
Affinity DataIC50: 4.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112182(CHEMBL3608686)
Affinity DataIC50: 5.10E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112182(CHEMBL3608686)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed
TargetNeuromedin-K receptor(Human)
Euroscreen

Curated by ChEMBL
LigandPNGBDBM50112182(CHEMBL3608686)
Affinity DataKi:  200nMAssay Description:Binding affinity to human recombinant NK3R by radioligand binding assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
11/19/2016
Entry Details Article
PubMed