BDBM50558174 CHEMBL4787638

SMILES Clc1cccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)c1

InChI Key InChIKey=LUPOAJYFMCPOHX-UHFFFAOYSA-N

Data  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 6 hits for monomerid = 50558174   

TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558174(CHEMBL4787638)
Affinity DataIC50: 2.32E+5nMAssay 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
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558174(CHEMBL4787638)
Affinity DataIC50: 1.88E+5nMAssay 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
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558174(CHEMBL4787638)
Affinity DataIC50: 3.25E+5nMAssay 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
TargetPotassium voltage-gated channel subfamily H member 2(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558174(CHEMBL4787638)
Affinity DataIC50: 8.34E+6nMAssay 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
TargetProbable G-protein coupled receptor 142(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558174(CHEMBL4787638)
Affinity DataIC50: 108nMAssay 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
TargetProbable G-protein coupled receptor 142(Mouse)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558174(CHEMBL4787638)
Affinity DataIC50: 164nMAssay Description:Agonist activity at mouse 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