BDBM21178 JMC511730 Compound 1::N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 30

SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2ccc(C)o2)-n2nc(C)cc2C)CC1

InChI Key InChIKey=QIPISTDFCOPXCR-UHFFFAOYSA-N

Data  5 KI  1 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 6 hits for monomerid = 21178   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Neuroscience

LigandPNGBDBM21178(JMC511730 Compound 1 | N-[6-(3,5-dimethyl-1H-pyraz...)
Affinity DataKi:  12nM ΔG°:  -10.7kcal/molepH: 7.4 T: 2°CAssay Description:The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Neuroscience

LigandPNGBDBM21178(JMC511730 Compound 1 | N-[6-(3,5-dimethyl-1H-pyraz...)
Affinity DataKi:  12nM ΔG°:  -10.7kcal/molepH: 7.4 T: 2°CAssay Description:The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Rattus norvegicus (rat))
Neuroscience

LigandPNGBDBM21178(JMC511730 Compound 1 | N-[6-(3,5-dimethyl-1H-pyraz...)
Affinity DataKi:  131nM ΔG°:  -9.29kcal/molepH: 7.4 T: 2°CAssay Description:The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Neuroscience

LigandPNGBDBM21178(JMC511730 Compound 1 | N-[6-(3,5-dimethyl-1H-pyraz...)
Affinity DataKi:  850nMAssay Description:The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Neuroscience

LigandPNGBDBM21178(JMC511730 Compound 1 | N-[6-(3,5-dimethyl-1H-pyraz...)
Affinity DataKi:  850nM ΔG°:  -8.19kcal/molepH: 7.4 T: 2°CAssay Description:The membranes prepared from Flp-In HEK cells transfected with adenosine receptors were used in binding assays. Nonspecific binding was determined in ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetPotassium voltage-gated channel subfamily H member 2(Homo sapiens (Human))
Neuroscience

LigandPNGBDBM21178(JMC511730 Compound 1 | N-[6-(3,5-dimethyl-1H-pyraz...)
Affinity DataIC50:  950nMAssay Description:A preclinical assay was used to determine whether drug candidates inhibit hERG by examining their ability to block the potassium tail currents in HEK...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed