BDBM50051128 CHEMBL3318296

SMILES: COc1cc2nc(nc(NCCCCCN3CCN(CC3)C(C)C)c2cc1OC)N1CCCC1

InChI Key: InChIKey=UIPOVMXYICVCAY-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 = 50051128   

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))	BDBM50051128 (CHEMBL3318296) Show SMILES COc1cc2nc(nc(NCCCCCN3CCN(CC3)C(C)C)c2cc1OC)N1CCCC1 Show InChI InChI=1S/C26H42N6O2/c1-20(2)31-16-14-30(15-17-31)11-7-5-6-10-27-25-21-18-23(33-3)24(34-4)19-22(21)28-26(29-25)32-12-8-9-13-32/h18-20H,5-17H2,1-4H3,(H,27,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+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