BDBM50558171 CHEMBL4790150

SMILES FC(F)(F)c1cccc(Nc2nnc3-c4cc(ccc4OCCn23)-c2ccncc2)c1

InChI Key InChIKey=BOJVBIBNNHOZCU-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50558171   

TargetProbable G-protein coupled receptor 142(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558171(CHEMBL4790150)
Affinity DataIC50: 48nMAssay Description:Agonist activity at human GPR142 expressed in CHO cells measured for 3 mins by Fluo-4M dye based FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558171(CHEMBL4790150)
Affinity DataIC50: 516nMAssay Description:Inhibition of human liver microsomes CYP3A4 using testosterone as substrate by MUX-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558171(CHEMBL4790150)
Affinity DataIC50: 531nMAssay Description:Inhibition of human liver microsomes CYP2C9 using diclofenac as substrate by MUX-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558171(CHEMBL4790150)
Affinity DataIC50: 557nMAssay Description:Inhibition of human ERG expressed in HEK293 cells assessed as reduction in S35-MK-0499 bindingMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558171(CHEMBL4790150)
Affinity DataIC50: 782nMAssay Description:Inhibition of human liver microsomes CYP2D6 using dextromethorphan as substrate by MUX-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/27/2022
Entry Details Article
PubMed