BDBM459607 US10772893, Example 116::US11529356, Example 116

SMILES C[C@@H]1COCCN1c1cc(-c2ccc(nc2C)S(C)(=N)=O)c2ccnc(-c3ccn[nH]3)c2n1

InChI Key

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 459607   

TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM459607(US10772893, Example 116 | US11529356, Example 116)
Affinity DataIC50:  9.51nMAssay Description:To determine of binding activity of the test compounds, full-length human ATR protein was expressed and purified together with ATRIP as described abo...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetATR-interacting protein/Serine/threonine-protein kinase ATR(Homo sapiens (Human))
Bayer Pharma Aktiengesellschaft

US Patent
LigandPNGBDBM459607(US10772893, Example 116 | US11529356, Example 116)
Affinity DataIC50:  9.51nMAssay 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
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM459607(US10772893, Example 116 | US11529356, Example 116)
Affinity DataIC50:  266nMAssay Description:Inhibition of ATR in human HT-29 cells assessed as reduction in histone H2AX phosphorylation measured after 30 mins by immunofluorescence cytometric ...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetSerine/threonine-protein kinase ATR(Homo sapiens (Human))
Bayer

Curated by ChEMBL
LigandPNGBDBM459607(US10772893, Example 116 | US11529356, Example 116)
Affinity DataIC50:  10nMAssay Description:Inhibition of 5'-TAMRA-labeled tracer 3',6'-bis(dimethylamino)-N-(4-{[2(1H-indol-4-yl)-6-(morpholin-4-yl)-pyrimidin-4-yl]amino}butyl)-3-oxo-3H-spiro[...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed