BDBM50512651 CHEMBL4483418

SMILES: COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1CCCN1CCCC1=O)C1CCCCC1

InChI Key: InChIKey=KMPZFCTVOLSPGR-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 = 50512651   

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
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50512651 (CHEMBL4483418) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1CCCN1CCCC1=O)C1CCCCC1 Show InChI InChI=1S/C30H45N5O2/c1-21(2)34-17-13-24(14-18-34)31-30-25-20-27(37-3)23(11-7-15-35-16-8-12-28(35)36)19-26(25)32-29(33-30)22-9-5-4-6-10-22/h19-22,24H,4-18H2,1-3H3,(H,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	205	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem BV Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...				Bioorg Med Chem Lett 29: 2516-2524 (2019) Article DOI: 10.1016/j.bmcl.2019.06.012
					More data for this Ligand-Target Pair