BDBM50051125 CHEMBL3318293

SMILES: COc1cc2nc(nc(NCCCCCN3CCNCC3)c2cc1OC)N1CCCC1

InChI Key: InChIKey=PYTSFWRIBNDHGE-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 = 50051125   

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
SET domain-containing protein 8 (SetD8) (Homo sapiens (Human))	BDBM50051125 (CHEMBL3318293) Show SMILES COc1cc2nc(nc(NCCCCCN3CCNCC3)c2cc1OC)N1CCCC1 Show InChI InChI=1S/C23H36N6O2/c1-30-20-16-18-19(17-21(20)31-2)26-23(29-12-6-7-13-29)27-22(18)25-8-4-3-5-11-28-14-9-24-10-15-28/h16-17,24H,3-15H2,1-2H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of SETD8 (unknown origin) catalytic domain expressed in Escherichia coli using biotinylated H4 (1-24) peptide substrate after 1 hr by scin...				J Med Chem 57: 6822-33 (2014) Article DOI: 10.1021/jm500871s BindingDB Entry DOI: 10.7270/Q2J9681Q
					More data for this Ligand-Target Pair