BDBM128791 US8802712, 49

SMILES: COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(=O)NCCN(C)C)c1ccc(F)cc1

InChI Key: InChIKey=RRUMHRGSUHJEPD-UHFFFAOYSA-N

Data: 1 IC50

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 128791   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
DNA-dependent protein kinase catalytic subunit (Homo sapiens (Human))	BDBM128791 (US8802712, 49) Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OC(C(=O)NCCN(C)C)c1ccc(F)cc1 Show InChI InChI=1S/C31H29FN6O3/c1-37(2)14-13-34-31(39)30(21-9-11-22(32)12-10-21)41-27-15-23-24(16-26(27)40-4)35-18-25-28(23)29(36-38(25)3)20-7-5-19(17-33)6-8-20/h5-12,15-16,18,30H,13-14H2,1-4H3,(H,34,39)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.300	n/a	n/a	n/a	n/a	7.4	25
Merck Patent GmbH US Patent					Assay Description The kinase assay was carried out in streptavidin-coated 348-well microtitre FlashPlates®. To this end, 1.5 μg of the DNA-PK/protein complex and ...				US Patent US8802712 (2014) BindingDB Entry DOI: 10.7270/Q2VM49ZC
					More data for this Ligand-Target Pair