BDBM170515 US9669034, 90 (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl)oxy]phenyl}-N-{3-[(S-methylsulfonimidoyl)methyl]phenyl}-1,3,5-triazin-2-amine

SMILES CS(=N)(=O)Cc1cccc(Nc2ncnc(n2)-c2ccc(F)cc2OCc2cccc(F)c2)c1

InChI Key InChIKey=YPAQXRURXUKFGB-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 170515   

TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Bayer Intellectual Property

US Patent
LigandPNGBDBM170515(US9669034, 90 (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl...)
Affinity DataIC50:  2nMpH: 8.0 T: 2°CAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
University Of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM170515(US9669034, 90 (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl...)
Affinity DataIC50:  260nMAssay Description:Inhibition of human recombinant GST-tagged CDK2/cyclin E expressed in Sf9 insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincubated for...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCyclin-T1/Cyclin-dependent kinase 9(Homo sapiens (Human))
Bayer Intellectual Property

US Patent
LigandPNGBDBM170515(US9669034, 90 (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl...)
Affinity DataIC50:  2nMAssay Description:Inhibition of human recombinant full length His-tagged CDK9/cyclin T1 expressed in insect cells using biotin-Ttds-YISPLKSPYKISEG as substrate preincu...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCyclin-dependent kinase 2/G1/S-specific cyclin-E1(Homo sapiens (Human))
University Of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM170515(US9669034, 90 (rac)-4-{4-Fluoro-2-[(3-fluorobenzyl...)
Affinity DataIC50:  260nMpH: 8.0 T: 2°CAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent