BDBM50457086 CHEMBL4215754
SMILES COCCOc1ccc(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2nccs2)CC1
InChI Key InChIKey=CQEIDBVNJDOWJV-UHFFFAOYSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 11 hits for monomerid = 50457086
Affinity DataKi: 0.400nMAssay Description:Antagonist activity at human A2A receptor expressed in HEK293 cell membranes assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 ...More data for this Ligand-Target Pair
Affinity DataKi: 0.440nMAssay Description:Antagonist activity at rat A2A receptor assessed as reduction in CGS-21680-induced cAMP level pretreated for 15 mins followed by CGS-21680 addition m...More data for this Ligand-Target Pair
Affinity DataKi: 1.5nMAssay Description:Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assayMore data for this Ligand-Target Pair
Affinity DataKi: 1.70E+3nMAssay Description:Displacement of [3H]-DPCPX from human A1 receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assayMore data for this Ligand-Target Pair
Affinity DataKi: 5.00E+3nMAssay Description:Displacement of [3H]-MRS-1754 from human A2B receptor expressed in HEK293 cell membranes after 90 mins radioligand binding assayMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Advinus Therapeutics
Curated by ChEMBL
Advinus Therapeutics
Curated by ChEMBL
Affinity DataEC50: >6.00E+4nMAssay Description:Transactivation of recombinant human PXR expressed in HepG2 cells after 42 hrs by dual luciferase reporter gene assayMore data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair