BDBM459496 US10772893, Example 5::US11529356, Example 5

SMILES CN=S(C)(=O)c1ccc(cc1)-c1cc(nc2c(nccc12)-c1ccn[nH]1)N1CCOCC1

InChI Key InChIKey=LUHVNBNCDCMSDD-UHFFFAOYSA-N

Data  4 IC50

  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 4 hits for monomerid = 459496   

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

US Patent
LigandPNGBDBM459496(US10772893, Example 5 | US11529356, Example 5)
Affinity DataIC50: 34.1nMAssay 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
In Depth
Date in BDB:
4/25/2021
Entry Details
US Patent

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

US Patent
LigandPNGBDBM459496(US10772893, Example 5 | US11529356, Example 5)
Affinity DataIC50: 34.1nMAssay 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:
2/16/2023
Entry Details
US Patent

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

US Patent
LigandPNGBDBM459496(US10772893, Example 5 | US11529356, Example 5)
Affinity DataIC50: 64.3nMAssay 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
In Depth
Date in BDB:
4/25/2021
Entry Details
US Patent

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

US Patent
LigandPNGBDBM459496(US10772893, Example 5 | US11529356, Example 5)
Affinity DataIC50: 64.3nMAssay 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:
2/16/2023
Entry Details
US Patent