BDBM50542191 CHEMBL4646279

SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1cocn1

InChI Key InChIKey=WHIVUUFIGSWFFX-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 = 50542191   

TargetAdenosine receptor A2b(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50542191(CHEMBL4646279)
Affinity DataKi:  43nMAssay Description:Displacement [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cell membranes incubated for 60 mins by scintillation counting methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed
TargetAdenosine receptor A2b(Human)
Uppsala University

Curated by ChEMBL
LigandPNGBDBM50542191(CHEMBL4646279)
Affinity DataKi:  43nMAssay 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
LigandPNGBDBM50542191(CHEMBL4646279)
Affinity DataIC50: 5.92E+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
LigandPNGBDBM50542191(CHEMBL4646279)
Affinity DataIC50: 5.92E+3nMAssay Description:Inhibition of CYP3A4 (unknown origin) expressed in insect cell microsomes using dibenzylfluorescein substrate by fluorescence based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/13/2021
Entry Details Article
PubMed