Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Serine-protein kinase ATM' and Ligand = 'BDBM245498'   

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))	BDBM245498 (US9428503, 25) Show SMILES CO[C@@H]1CC[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN(C)C)nc2)n(C)c1=O |r| Show InChI InChI=1S/C27H33N5O3/c1-30(2)12-5-13-35-25-11-7-19(16-29-25)18-6-10-23-22(14-18)26-24(17-28-23)31(3)27(33)32(26)20-8-9-21(15-20)34-4/h6-7,10-11,14,16-17,20-21H,5,8-9,12-13,15H2,1-4H3/t20-,21-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.315	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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