BDBM21188 N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide::Pyrimidine analogue, 40

SMILES CN1CCN(CC(=O)Nc2cc(nc(n2)-c2nccs2)-n2nc(C)cc2C)CC1

InChI Key InChIKey=WVDKULPCDHAQIA-UHFFFAOYSA-N

Data  4 KI  1 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 5 hits for monomerid = 21188   

TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21188(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...)
Affinity DataKi:  9nMAssay Description:Inhibition of human recombinant adenosine receptor A2aMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A2a(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21188(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...)
Affinity DataKi:  9nMAssay 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))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21188(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...)
Affinity DataKi:  2.00E+3nMAssay Description:Inhibition of human recombinant adenosine A1 receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAdenosine receptor A1(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21188(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...)
Affinity DataKi:  2.00E+3nM ΔG°:  -7.69kcal/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
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM21188(N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol...)
Affinity DataIC50:  1.30E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed