Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Serine-protein kinase ATM' and Ligand = 'BDBM245505'   

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))	BDBM245505 (US9428503, 33) Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.76,4.9,;3.37,3.41,;4.45,2.32,;4.45,.78,;5.99,.78,;5.99,2.32,;7.08,-.31,;6.76,-1.82,;8.1,-2.59,;8.1,-4.13,;6.76,-4.9,;5.43,-4.13,;4.1,-4.9,;2.76,-4.13,;2.76,-2.59,;4.1,-1.82,;5.43,-2.59,;1.43,-1.82,;1.43,-.28,;.09,.49,;-1.24,-.28,;-2.57,.49,;-3.91,-.28,;-5.24,.49,;-6.57,-.28,;-7.91,.49,;-7.91,2.03,;-9.24,2.8,;-10.57,2.03,;-10.57,.49,;-9.24,-.28,;-1.24,-1.82,;.09,-2.59,;9.24,-1.56,;10.57,-2.33,;8.61,-.15,;9.38,1.19,)| Show InChI InChI=1S/C29H35N5O3/c1-32-26-19-30-25-9-7-20(15-24(25)28(26)34(29(32)35)22-16-23(17-22)36-2)21-8-10-27(31-18-21)37-14-6-13-33-11-4-3-5-12-33/h7-10,15,18-19,22-23H,3-6,11-14,16-17H2,1-2H3/t22-,23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of ATM autophosphorylation at Ser1981 in human HT29 cells preincubated for 1 hr followed by X ray irradiation and measured after 1 hr by H...				J Med Chem 61: 3823-3841 (2018) Article DOI: 10.1021/acs.jmedchem.7b01896 BindingDB Entry DOI: 10.7270/Q2RB775P
					More data for this Ligand-Target Pair
Serine-protein kinase ATM (Homo sapiens (Human))	BDBM245505 (US9428503, 33) Show SMILES CO[C@H]1C[C@H](C1)n1c2c(cnc3ccc(cc23)-c2ccc(OCCCN3CCCCC3)nc2)n(C)c1=O |r,wD:4.6,2.1,(3.76,4.9,;3.37,3.41,;4.45,2.32,;4.45,.78,;5.99,.78,;5.99,2.32,;7.08,-.31,;6.76,-1.82,;8.1,-2.59,;8.1,-4.13,;6.76,-4.9,;5.43,-4.13,;4.1,-4.9,;2.76,-4.13,;2.76,-2.59,;4.1,-1.82,;5.43,-2.59,;1.43,-1.82,;1.43,-.28,;.09,.49,;-1.24,-.28,;-2.57,.49,;-3.91,-.28,;-5.24,.49,;-6.57,-.28,;-7.91,.49,;-7.91,2.03,;-9.24,2.8,;-10.57,2.03,;-10.57,.49,;-9.24,-.28,;-1.24,-1.82,;.09,-2.59,;9.24,-1.56,;10.57,-2.33,;8.61,-.15,;9.38,1.19,)| Show InChI InChI=1S/C29H35N5O3/c1-32-26-19-30-25-9-7-20(15-24(25)28(26)34(29(32)35)22-16-23(17-22)36-2)21-8-10-27(31-18-21)37-14-6-13-33-11-4-3-5-12-33/h7-10,15,18-19,22-23H,3-6,11-14,16-17H2,1-2H3/t22-,23+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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
					More data for this Ligand-Target Pair