BDBM412644 US10399974, Example 42

SMILES CCOc1cc(ccc1Nc1ncc2cc(C)nc(N3CCC3(C)C)c2n1)-c1nncn1C

InChI Key InChIKey=KXQCJKRTBLRMTI-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:
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 412644   

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

Curated by ChEMBL
LigandPNGBDBM412644(US10399974, Example 42)
Affinity DataKi:  4nMAssay 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
LigandPNGBDBM412644(US10399974, Example 42)
Affinity DataKi:  1.30E+4nMAssay 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
LigandPNGBDBM412644(US10399974, Example 42)
Affinity DataIC50:  400nMAssay 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
LigandPNGBDBM412644(US10399974, Example 42)
Affinity DataIC50:  2.60E+4nMAssay 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
LigandPNGBDBM412644(US10399974, Example 42)
Affinity DataIC50:  10nMAssay 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
LigandPNGBDBM412644(US10399974, Example 42)
Affinity DataIC50:  3.80E+3nMAssay 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