BDBM50051119 CHEMBL3318287

SMILES: COc1cc2nc(nc(NCCCN3CCCC3)c2cc1OC)N1CCCC1

InChI Key: InChIKey=BRMKHNDYIVOXPL-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 = 50051119   

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))	BDBM50051119 (CHEMBL3318287) Show SMILES COc1cc2nc(nc(NCCCN3CCCC3)c2cc1OC)N1CCCC1 Show InChI InChI=1S/C21H31N5O2/c1-27-18-14-16-17(15-19(18)28-2)23-21(26-12-5-6-13-26)24-20(16)22-8-7-11-25-9-3-4-10-25/h14-15H,3-13H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.60E+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