BDBM241213 US10479788, Example 55::US11046688, Example 55::US9409907, 55

SMILES COc1cc(ccc1Nc1ncc2ccnc(NC3CCCCC3)c2n1)-c1cnn(C)c1

InChI Key InChIKey=DIBCUQSRSKMAFL-UHFFFAOYSA-N

Data  2 KI  7 IC50

PDB links: 1 PDB ID matches this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 241213   

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

Curated by ChEMBL
LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Affinity DataKi:  1.30nMAssay 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
LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Affinity DataKi:  100nMAssay 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
LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Affinity DataIC50:  12nMAssay 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
LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Affinity DataIC50:  9nMAssay 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
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Affinity DataIC50:  190nMAssay 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
LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Affinity DataIC50:  9nMAssay 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
LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Affinity DataIC50:  130nMAssay 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
LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Affinity DataIC50:  9nMpH: 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
LigandPNGBDBM241213(US10479788, Example 55 | US11046688, Example 55 | ...)
Affinity DataIC50:  220nMAssay 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