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SMILES: Brc1cnc2nc([nH]c2c1NCC1CCNCC1)-c1ccc(OCCN2CCCCC2)cc1

InChI Key: InChIKey=BRHAIUXYHUZNFP-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50379370   

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
Serine/threonine-protein kinase TBK1 (Homo sapiens (Human))	BDBM50379370 (CHEMBL2011899) Show SMILES Brc1cnc2nc([nH]c2c1NCC1CCNCC1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C25H33BrN6O/c26-21-17-29-25-23(22(21)28-16-18-8-10-27-11-9-18)30-24(31-25)19-4-6-20(7-5-19)33-15-14-32-12-2-1-3-13-32/h4-7,17-18,27H,1-3,8-16H2,(H2,28,29,30,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	105	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of recombinant TBK1 using 5FAM-AhxKRRAL(ps)VASLPGL as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 22: 2063-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74
					More data for this Ligand-Target Pair
Inhibitor of nuclear factor kappa-B kinase subunit epsilon (Homo sapiens (Human))	BDBM50379370 (CHEMBL2011899) Show SMILES Brc1cnc2nc([nH]c2c1NCC1CCNCC1)-c1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C25H33BrN6O/c26-21-17-29-25-23(22(21)28-16-18-8-10-27-11-9-18)30-24(31-25)19-4-6-20(7-5-19)33-15-14-32-12-2-1-3-13-32/h4-7,17-18,27H,1-3,8-16H2,(H2,28,29,30,31)	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	523	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Ikkepsilon using 5FAM-AKELDQGSLCTpSFVGTLQ-NH2 as substrate by microfluidic mobility shift assay				Bioorg Med Chem Lett 22: 2063-9 (2012) Article DOI: 10.1016/j.bmcl.2012.01.018 BindingDB Entry DOI: 10.7270/Q2WS8V74
					More data for this Ligand-Target Pair