Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM268233'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase ATR (Homo sapiens (Human))	BDBM268233 (US10772893, Example 266 | US11529356, Example 266 ...) Show SMILES C[C@@H]1COCCN1c1cc(-c2c[nH]nc2C)c2ccnc(-c3ccn[nH]3)c2n1 |r| Show InChI InChI=1S/C20H19N7O/c1-12-11-28-8-7-27(12)18-9-15(16-10-23-25-13(16)2)14-3-5-21-20(19(14)24-18)17-4-6-22-26-17/h3-6,9-10,12H,7-8,11H2,1-2H3/b16-15+,20-17-/t12-/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.31	n/a	n/a	n/a	n/a	7.0	n/a
Bayer Pharma Aktiengesellschaft US Patent					Assay 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...				US Patent US9549932 (2017) BindingDB Entry DOI: 10.7270/Q27S7QSC
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