null

SMILES: NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I

InChI Key: InChIKey=ZYLHCSSOEGIFAO-UHFFFAOYSA-N

PDB links: 1 PDB ID matches this monomer.

Find this compound or compounds like it in BindingDB or PDB:

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50111573   

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
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 1, mitochondrial (Homo sapiens (Human))	BDBM50111573 (CHEMBL3605056) Show SMILES NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I Show InChI InChI=1S/C18H24IN7O/c19-15-12-22-17(25-16(15)21-8-4-7-20)23-13-5-3-6-14(11-13)24-18(27)26-9-1-2-10-26/h3,5-6,11-12H,1-2,4,7-10,20H2,(H,24,27)(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	710	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of recombinant PDK1 (unknown origin) using PDK1tide substrate incubated for 7 mins				Bioorg Med Chem 23: 5483-8 (2015) BindingDB Entry DOI: 10.7270/Q2CN75P8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase ULK1 (Homo sapiens (Human))	BDBM50111573 (CHEMBL3605056) Show SMILES NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I Show InChI InChI=1S/C18H24IN7O/c19-15-12-22-17(25-16(15)21-8-4-7-20)23-13-5-3-6-14(11-13)24-18(27)26-9-1-2-10-26/h3,5-6,11-12H,1-2,4,7-10,20H2,(H,24,27)(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of SUMO-tagged ULK1 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...				Bioorg Med Chem 23: 5483-8 (2015) BindingDB Entry DOI: 10.7270/Q2CN75P8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase ULK2 (Homo sapiens (Human))	BDBM50111573 (CHEMBL3605056) Show SMILES NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1I Show InChI InChI=1S/C18H24IN7O/c19-15-12-22-17(25-16(15)21-8-4-7-20)23-13-5-3-6-14(11-13)24-18(27)26-9-1-2-10-26/h3,5-6,11-12H,1-2,4,7-10,20H2,(H,24,27)(H2,21,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of SUMO-tagged ULK2 (unknown origin) kinase domain expressed in KRX cells using [32P]-gamma-ATP and myelin basic protein substrate incubat...				Bioorg Med Chem 23: 5483-8 (2015) BindingDB Entry DOI: 10.7270/Q2CN75P8
					More data for this Ligand-Target Pair