BDBM412626 US10399974, Example 20

SMILES COc1cc(ccc1Nc1ncc2cc(C)nc(N3CC4(C3)CCOCC4)c2n1)-c1cnc(C)n1C

InChI Key InChIKey=MREGPHLPNRKUHN-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 412626   

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

US Patent
LigandPNGBDBM412626(US10399974, Example 20)
Affinity DataIC50:  12nMAssay 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