BDBM50051121 CHEMBL3318289

SMILES: COc1cc2nc(nc(NCCCCCN3CCCCC3)c2cc1OC)N1CCCC1

InChI Key: InChIKey=XYRCMQORSYCAND-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50051121   

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))	BDBM50051121 (CHEMBL3318289) Show SMILES COc1cc2nc(nc(NCCCCCN3CCCCC3)c2cc1OC)N1CCCC1 Show InChI InChI=1S/C24H37N5O2/c1-30-21-17-19-20(18-22(21)31-2)26-24(29-15-9-10-16-29)27-23(19)25-11-5-3-6-12-28-13-7-4-8-14-28/h17-18H,3-16H2,1-2H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	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