BDBM171998 US10155002, Compound 2::US9090562, 2

SMILES: CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=XMEUHPWGPJFKLD-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

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 3 hits for monomerid = 171998   

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))	BDBM171998 (US10155002, Compound 2 | US9090562, 2) Show SMILES CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C33H42N4O3/c1-22-17-23(2)35-33(39)30(22)20-34-32(38)29-18-27(19-31(24(29)3)36(4)28-7-5-6-8-28)26-11-9-25(10-12-26)21-37-13-15-40-16-14-37/h9-12,17-19,28H,5-8,13-16,20-21H2,1-4H3,(H,34,38)(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54.9	n/a	n/a	n/a	n/a	n/a	25
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....				US Patent US9090562 (2015) BindingDB Entry DOI: 10.7270/Q2057DPX
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM171998 (US10155002, Compound 2 | US9090562, 2) Show SMILES CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C33H42N4O3/c1-22-17-23(2)35-33(39)30(22)20-34-32(38)29-18-27(19-31(24(29)3)36(4)28-7-5-6-8-28)26-11-9-25(10-12-26)21-37-13-15-40-16-14-37/h9-12,17-19,28H,5-8,13-16,20-21H2,1-4H3,(H,34,38)(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	54.9	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description The assays were all performed in a buffer consisting of 20 mM bicine (pH=7.6), 0.5 mM DTT, 0.005% BSG and 0.002% Tween20, prepared on the day of use....				US Patent US10155002 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TM3
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM171998 (US10155002, Compound 2 | US9090562, 2) Show SMILES CN(C1CCCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C33H42N4O3/c1-22-17-23(2)35-33(39)30(22)20-34-32(38)29-18-27(19-31(24(29)3)36(4)28-7-5-6-8-28)26-11-9-25(10-12-26)21-37-13-15-40-16-14-37/h9-12,17-19,28H,5-8,13-16,20-21H2,1-4H3,(H,34,38)(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	700	n/a	n/a	n/a	n/a
Epizyme Curated by ChEMBL					Assay Description Inhibition of methyltransferase activity of EZH2 in human G401 cells assessed as H3K27 trimethylation after 4 hrs by ELISA				J Med Chem 59: 1556-64 (2016) BindingDB Entry DOI: 10.7270/Q2B56MM7
					More data for this Ligand-Target Pair