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

InChI Key InChIKey=SGWLRDAOCLITOM-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 241338   

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

US Patent
LigandPNGBDBM241338(US10479788, Example 182 | US11046688, Example 182 ...)copy SMILEScopy InChI
Affinity DataIC50: 3nMpH: 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