BDBM241226 US10479788, Example 68::US11046688, Example 68::US9409907, 68

SMILES COc1cc(ccc1Nc1ncc2ccnc(NCC(C)(C)C)c2n1)-c1cnn(C)c1

InChI Key InChIKey=WSTCEYSBWKYEDE-UHFFFAOYSA-N

Data  4 KI  10 IC50

PDB links: 1 PDB ID matches this monomer.

  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 14 hits for monomerid = 241226   

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

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataKi:  0.440nMAssay 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 InfoPC cidPC sidPDB
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataKi:  0.5nMAssay Description:Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataKi:  230nMAssay Description:Inhibition of human full length recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataKi:  230nMAssay 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 InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  450nMAssay Description:Inhibition of human full length recombinant His-tagged CDK2/CyclinA expressed in baculovirus using 5FAMQSPKKG-CONH2 as substrate after 60 minsMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  140nMAssay Description:Inhibition of wild type Myc-ectopic MPS1 (unknown origin) expressed in human HCT116 cells assessed as autophosphorylation at Thr33/Ser37 after 2 hrs ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  8nMAssay 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 InfoPC cidPC sidPDB
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  140nMAssay 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 InfoPC cidPC sidPDB
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  45nMAssay Description:Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  8nMpH: 7.0 T: 2°CAssay 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 InfoPC cidPC sidPDB
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  8nMAssay 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 InfoPC cidPC sidPDB
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  44nMAssay 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 InfoPC cidPC sidPDB
TargetDual specificity protein kinase TTK(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  18nMAssay Description:Inhibition of human full length MPS1 expressed in recombinant baculovirus infected Sf9 insect cells using 5FAM-DHTGFLTEYVATRCONH2 as substrate after ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241226(US10479788, Example 68 | US11046688, Example 68 | ...)
Affinity DataIC50:  450nMAssay 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 InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed