Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine/threonine-protein kinase ATR' and Ligand = 'BDBM268043'   

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))	BDBM268043 (4-fluoro-2-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-...) Show SMILES C[C@@H]1COCCN1c1cc(-c2cc(F)ccc2N)c2ccnc(-c3ccnn3C3CCCCO3)c2n1 |r| Show InChI InChI=1S/C27H29FN6O2/c1-17-16-35-13-11-33(17)24-15-20(21-14-18(28)5-6-22(21)29)19-7-9-30-27(26(19)32-24)23-8-10-31-34(23)25-4-2-3-12-36-25/h5-10,14-15,17,25H,2-4,11-13,16,29H2,1H3/t17-,25?/m1/s1	PDB Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.97	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