BDBM413448 9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino)-7,9-dihydro-8H-purin-8-one::US10407446, Example 1::US11136340, Example 1

SMILES Cc1cc2ncnn2cc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1

InChI Key InChIKey=XGWVDWGXBYRXIX-JOCQHMNTSA-N

Data  15 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 15 hits for monomerid = 413448   

TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50:  3.16E+3nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z′-LYTEŽ assays run by ThermoFisher Scientific...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetAurora kinase B(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: >1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z'-LYTEŽ assays run by ThermoFisher Scientific a...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: <1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z′-LYTEŽ assays run by ThermoFisher Scientific...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: <1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z′-LYTEŽ assays run by ThermoFisher Scientific...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetAurora kinase A(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: <1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z′-LYTEŽ assays run by ThermoFisher Scientific...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetAurora kinase B(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: <1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z′-LYTEŽ assays run by ThermoFisher Scientific...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50:  0.0794nMAssay Description:Inhibition of human HeLa cell-derived full length DNA-PK catalytic subunit using fluorescein-EPPLSQEAFADLWKK as substrate preincubated for 30 mins fo...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50:  50nMAssay Description:Inhibition of DNA-PK in human A549 cells assessed as reduction in irradiation-induced autophosphorylation at S2056 residue preincubated for 1 hr foll...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetDNA-dependent protein kinase catalytic subunit(Homo sapiens (Human))
Astrazeneca

Curated by ChEMBL
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: <0.100nMAssay Description:The inhibitory activity of compounds against DNAPK was determined by TR-FRET measuring a fluorescent labelled peptide substrate converting to a phosp...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50:  3.16E+3nMAssay Description:The inhibitory activity of compounds against TTK was determined in a LanthaScreenŽ Eu Kinase Binding assay run by ThermoFisher Scientific as part of ...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: >1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z'-LYTEŽ assays run by ThermoFisher Scientific a...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: >1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z'-LYTEŽ assays run by ThermoFisher Scientific a...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: >1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z'-LYTEŽ assays run by ThermoFisher Scientific a...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetAurora kinase A(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: >1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z'-LYTEŽ assays run by ThermoFisher Scientific a...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Astrazeneca

US Patent
LigandPNGBDBM413448(9-((1r,4r)-4-hydroxycyclohexyl)-7-methyl-2-((7-met...)
Affinity DataIC50: <1.00E+4nMAssay Description:The inhibitory activity of compounds against AURKA, AURKB, JAK1, JAK2 and JAK3 was determined in Z′-LYTEŽ assays run by ThermoFisher Scientific...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent