Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine-protein kinase ATM' and Ligand = 'BDBM245499'   

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-protein kinase ATM (Homo sapiens (Human))	BDBM245499 (US9428503, 27) Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3cc(F)c(cc23)-c2ccc(OCCCN3CCCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(4.18,4.94,;3.41,3.61,;4.18,2.27,;4.18,.73,;5.72,.73,;5.72,2.27,;6.81,-.35,;6.49,-1.86,;7.82,-2.63,;7.82,-4.17,;6.49,-4.94,;5.15,-4.17,;3.82,-4.94,;2.49,-4.17,;1.15,-4.94,;2.49,-2.63,;3.82,-1.86,;5.15,-2.63,;1.15,-1.86,;1.15,-.32,;-.18,.45,;-1.51,-.32,;-2.85,.45,;-4.18,-.32,;-5.52,.45,;-6.85,-.32,;-8.18,.45,;-8.18,1.99,;-9.65,2.46,;-10.55,1.22,;-9.65,-.03,;-1.51,-1.86,;-.18,-2.63,;8.97,-1.6,;10.55,-2.03,;8.34,-.19,;9.11,1.14,)| Show InChI InChI=1S/C28H32FN5O3/c1-32-25-17-30-24-15-23(29)21(14-22(24)27(25)34(28(32)35)19-12-20(13-19)36-2)18-6-7-26(31-16-18)37-11-5-10-33-8-3-4-9-33/h6-7,14-17,19-20H,3-5,8-13H2,1-2H3/t19-,20+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.418	n/a	n/a	n/a	n/a	n/a	37
AstraZeneca AB US Patent					Assay Description Assay a) HT29 cells (ECACC #85061109) were seeded into 384 well assay plates (Costar #3712) at a density of 3500 cells/well in 40 μl EMEM medium c...				US Patent US9428503 (2016) BindingDB Entry DOI: 10.7270/Q2GH9GVJ
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