BDBM50558173 CHEMBL4755668

SMILES Clc1ccc(NC(=O)N2CCOc3ccc(cc3C2)-c2ccncc2)cc1Cl

InChI Key InChIKey=VHTUDFFXGOJCGG-UHFFFAOYSA-N

Data  6 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 6 hits for monomerid = 50558173   

TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50558173(CHEMBL4755668)
Affinity DataIC50: 3.26E+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
LigandPNGBDBM50558173(CHEMBL4755668)
Affinity DataIC50: 7.60E+4nMAssay 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
LigandPNGBDBM50558173(CHEMBL4755668)
Affinity DataIC50: 1.92E+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
LigandPNGBDBM50558173(CHEMBL4755668)
Affinity DataIC50: 2.03E+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
LigandPNGBDBM50558173(CHEMBL4755668)
Affinity DataIC50: 140nMAssay 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
LigandPNGBDBM50558173(CHEMBL4755668)
Affinity DataIC50: 138nMAssay 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