BDBM128778 US8802712, 36

SMILES: COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1cc(Br)cs1

InChI Key: InChIKey=IAADKQCLTGGUIA-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 = 128778   

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))	BDBM128778 (US8802712, 36) Show SMILES COc1cc2ncc3n(C)nc(-c4ccc(cc4)C#N)c3c2cc1OCc1cc(Br)cs1 Show InChI InChI=1S/C24H17BrN4O2S/c1-29-20-11-27-19-9-21(30-2)22(31-12-17-7-16(25)13-32-17)8-18(19)23(20)24(28-29)15-5-3-14(10-26)4-6-15/h3-9,11,13H,12H2,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	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