BDBM50617352 CHEMBL5409856

SMILES CC(C)OC(=O)C1=C(C)Nc2nc3cc(Br)ccc3n2C1c1ccco1

InChI Key InChIKey=DLEXZAGDQOLXRC-UHFFFAOYSA-N

Data  1 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 3 hits for monomerid = 50617352   

TargetAdenosine receptor A2b(Human)
University of Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50617352(CHEMBL5409856)
Affinity DataKi:  5.20nMAssay 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
TargetCytochrome P450 3A4(Human)
University of Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50617352(CHEMBL5409856)
Affinity DataIC50: 2.26E+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
LigandPNGBDBM50617352(CHEMBL5409856)
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