BDBM50110401 CHEMBL3605438

SMILES: COc1cc(cc2OCCOc12)C(=O)NCc1c(C)cc(C)[nH]c1=O

InChI Key: InChIKey=KMBHNILDGJPMCU-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 2 hits for monomerid = 50110401   

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 EZH2 (Homo sapiens (Human))	BDBM50110401 (CHEMBL3605438) Show SMILES COc1cc(cc2OCCOc12)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C18H20N2O5/c1-10-6-11(2)20-18(22)13(10)9-19-17(21)12-7-14(23-3)16-15(8-12)24-4-5-25-16/h6-8H,4-5,9H2,1-3H3,(H,19,21)(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.96E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50110401 (CHEMBL3605438) Show SMILES COc1cc(cc2OCCOc12)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C18H20N2O5/c1-10-6-11(2)20-18(22)13(10)9-19-17(21)12-7-14(23-3)16-15(8-12)24-4-5-25-16/h6-8H,4-5,9H2,1-3H3,(H,19,21)(H,20,22)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
Constellation Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of EZH2 (unknown origin) using biotinylated nucleosome, H3K27me3 activator and [3H]-SAM incubated for 60 mins by top-count based method				Bioorg Med Chem Lett 25: 3644-9 (2015) BindingDB Entry DOI: 10.7270/Q2Q24205
					More data for this Ligand-Target Pair