Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM268073'   

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))	BDBM268073 (4-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[(3R)-3-methylm...) Show SMILES C[C@@H]1COCCN1c1cc(-c2c(C)noc2C)c2ccnc(-c3ccn[nH]3)c2n1 |r,wU:1.0,(-.67,3.85,;-2,3.08,;-3.33,3.85,;-4.67,3.08,;-4.67,1.54,;-3.33,.77,;-2,1.54,;-.67,.77,;-.67,-.77,;.67,-1.54,;.67,-3.08,;-.58,-3.99,;-1.91,-3.22,;-.1,-5.45,;1.44,-5.45,;1.91,-3.99,;3.25,-3.22,;2,-.77,;3.33,-1.54,;4.67,-.77,;4.67,.77,;3.33,1.54,;3.33,3.08,;2.09,3.99,;2.56,5.45,;4.1,5.45,;4.58,3.99,;2,.77,;.67,1.54,)| Show InChI	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.67	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
					More data for this Ligand-Target Pair