BDBM228330 US9555022, Example 04.05

SMILES COc1cc(ccc1Nc1nc2ccc(cn2n1)-c1ccc(cc1)C(=O)NCc1ccc(F)cc1)C1=NCCO1

InChI Key InChIKey=VMZKLPWEFPHQRF-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 = 228330   

TargetDual specificity protein kinase TTK(Human)
Bayer Intellectual Property

US Patent
LigandPNGBDBM228330(US9555022, Example 04.05)
Affinity DataIC50: 1nMpH: 7.7Assay Description:For the assay 50 nl of a 100-fold concentrated solution of the test compound in DMSO was pipetted into a black low volume 384 well microtiter plate (...More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/17/2018
Entry Details
US Patent