BDBM50617314 CHEMBL5405570

SMILES CC(C)OC(=O)C1=C(C)Nc2nc3cc(Cl)ccc3n2C1c1ccoc1

InChI Key InChIKey=FOGWPZMPWZMOAM-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50617314   

TargetAdenosine receptor A2b(Human)
University of Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50617314(CHEMBL5405570)
Affinity DataKi:  6.10nMAssay Description:Displacement of [3H]DPCPX from human A2BAR expressed in HEK293 cell membrane assessed as inhibition constant incubated for 30 mins by competitive bin...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetAdenosine receptor A2a(Human)
University of Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50617314(CHEMBL5405570)
Affinity DataKi:  176nMAssay Description:Displacement of [3H]DPCPX from human A2AAR expressed in human HeLa cell membrane assessed as inhibition constant incubated for 30 mins by competitive...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50617314(CHEMBL5405570)
Affinity DataIC50: 6.36E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) using DBF as substrate preincubated for 5 mins followed by substrate addition by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
University of Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50617314(CHEMBL5405570)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using 7-BFC as substrate preincubated for 5 mins followed by substrate addition by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/14/2024
Entry Details
PubMed