BDBM241188 US11046688, Example 30::US9409907, 30

SMILES COc1ccc(Nc2cc3c(cccc3cn2)-c2cnn(C)c2)c(OC)c1

InChI Key InChIKey=SEROCBXXHACDIM-UHFFFAOYSA-N

Data  5 IC50

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 241188   

TargetDual specificity protein kinase TTK(Homo sapiens (Human))
Cancer Research Technology

US Patent
LigandPNGBDBM241188(US11046688, Example 30 | US9409907, 30)
Affinity DataIC50:  74nMpH: 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
TargetCyclin-A2/Cyclin-dependent kinase 2(Homo sapiens (Human))
The Institute Of Cancer Research

Curated by ChEMBL
LigandPNGBDBM241188(US11046688, Example 30 | US9409907, 30)
Affinity DataIC50:  8.55E+4nMAssay 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))
Cancer Research Technology

US Patent
LigandPNGBDBM241188(US11046688, Example 30 | US9409907, 30)
Affinity DataIC50:  2.77E+3nMAssay 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))
Cancer Research Technology

US Patent
LigandPNGBDBM241188(US11046688, Example 30 | US9409907, 30)
Affinity DataIC50:  99nMAssay 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