BDBM50617317 CHEMBL5432593

SMILES CC(C)OC(=O)C1=C(C)Nc2nc3ccc(Cl)cc3n2C1c1ccco1

InChI Key InChIKey=RODVKHYTZDTILT-UHFFFAOYSA-N

Data  2 KI  2 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 4 hits for monomerid = 50617317   

TargetAdenosine receptor A2b(Human)
University of Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50617317(CHEMBL5432593)
Affinity DataKi:  44nMAssay 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 A1(Human)
University of Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50617317(CHEMBL5432593)
Affinity DataKi:  667nMAssay Description:Displacement of [3H]DPCPX from human A1AR expressed in CHO cell membrane assessed as inhibition constant incubated for 60 mins by competitive binding...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
LigandPNGBDBM50617317(CHEMBL5432593)
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
TargetCytochrome P450 3A4(Human)
University of Santiago de Compostela

Curated by ChEMBL
LigandPNGBDBM50617317(CHEMBL5432593)
Affinity DataIC50: 1.00E+4nMAssay 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