BDBM412610 1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl)amino)-6-methylpyrido[3,4-d]pyrimidin-8-yl)-3-methylazetidine-3-carbonitrile::US10399974, Example 3

SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC(C)(C3)C#N)c2n1)-c1nncn1C

InChI Key InChIKey=GYMNTUPVOUZTAY-UHFFFAOYSA-N

Data  2 KI  4 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 6 hits for monomerid = 412610   

TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM412610(1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...)
Affinity DataKi:  0.200nMAssay Description:Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM412610(1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...)
Affinity DataKi:  1.40E+3nMAssay Description:Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM412610(1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...)
Affinity DataIC50:  20nMAssay Description:Inhibition of full length human N-terminal 6xHis-tagged MPS1 expressed in baculovirus expression system using 5FAM-H236 peptide as substrate after 60...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM412610(1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...)
Affinity DataIC50:  110nMAssay Description:Inhibition of MPS1 autophosphorylation at Thr33/Ser37 in human HCT116 cells after 2 hrs by MSD assayMore data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM412610(1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...)
Affinity DataIC50:  3nMAssay Description:The enzyme reaction (total volume 10 μl) was carried out in black 384-well low volume plates containing full length MPS1 (12.5 nM or 3 nM), fluo...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails US Patent
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM412610(1-(2-((2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)...)
Affinity DataIC50:  2.70E+3nMAssay Description:Inhibition of full length human N-terminal His-tagged CDK2/cyclinA expressed in baculovirus expression system using 5FAM- peptide18 as substrate afte...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed