BDBM50457086 CHEMBL4215754

SMILES COCCOc1ccc(cc1F)N1CCN(CCn2c3nc(N)n4nc(nc4c3n(C)c2=O)-c2nccs2)CC1

InChI Key InChIKey=CQEIDBVNJDOWJV-UHFFFAOYSA-N

Data  5 KI  5 IC50  1 EC50

  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 11 hits for monomerid = 50457086   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2b(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
Advinus Therapeutics

Curated by ChEMBL
LigandPNGBDBM50457086(CHEMBL4215754)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed