BDBM412658 US10399974, Example 56

SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCCC3)c2n1)-c1nncn1C

InChI Key InChIKey=VHRZLROQUWIXSC-UHFFFAOYSA-N

Data  2 KI  4 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 = 412658   

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

Curated by ChEMBL
LigandPNGBDBM412658(US10399974, Example 56)
Affinity DataKi:  0.820nMAssay 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
LigandPNGBDBM412658(US10399974, Example 56)
Affinity DataKi:  550nMAssay 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
LigandPNGBDBM412658(US10399974, Example 56)
Affinity DataIC50:  370nMAssay 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
LigandPNGBDBM412658(US10399974, Example 56)
Affinity DataIC50:  83nMAssay 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
LigandPNGBDBM412658(US10399974, Example 56)
Affinity DataIC50:  6nMAssay 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
LigandPNGBDBM412658(US10399974, Example 56)
Affinity DataIC50:  1.10E+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