BDBM412611 N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phenyl)-6-methyl-8-(7-oxa-2-azaspiro[3.5]nonan-2-yl)pyrido[3,4-d]pyrimidin-2-amine::US10399974, Example 4

SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOCC4)c2n1)-c1nncn1C

InChI Key InChIKey=JFSVDNNSGLCJII-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 = 412611   

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

Curated by ChEMBL
LigandPNGBDBM412611(N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phen...)
Affinity DataKi:  0.110nMAssay 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
LigandPNGBDBM412611(N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phen...)
Affinity DataKi:  1.30E+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
LigandPNGBDBM412611(N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phen...)
Affinity DataIC50:  2nMAssay 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
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM412611(N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phen...)
Affinity DataIC50:  37nMAssay 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
LigandPNGBDBM412611(N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phen...)
Affinity DataIC50:  11nMAssay 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
LigandPNGBDBM412611(N-(2-ethoxy-4-(4-methyl-4H-1,2,4-triazol-3-yl)phen...)
Affinity DataIC50:  2.50E+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