BDBM50075053 CHEMBL3414618

SMILES: CC(C)n1ncc2c(cc(nc12)-c1ccc2OCCOc2c1)C(=O)NCc1c(C)cc(C)[nH]c1=O

InChI Key: InChIKey=PHHBPZAKJMTXPV-UHFFFAOYSA-N

Data: 2 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 3 hits for monomerid = 50075053   

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))	BDBM50075053 (CHEMBL3414618) Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc2OCCOc2c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C26H27N5O4/c1-14(2)31-24-20(13-28-31)18(25(32)27-12-19-15(3)9-16(4)29-26(19)33)11-21(30-24)17-5-6-22-23(10-17)35-8-7-34-22/h5-6,9-11,13-14H,7-8,12H2,1-4H3,(H,27,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		310	n/a	n/a	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))	BDBM50075053 (CHEMBL3414618) Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc2OCCOc2c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C26H27N5O4/c1-14(2)31-24-20(13-28-31)18(25(32)27-12-19-15(3)9-16(4)29-26(19)33)11-21(30-24)17-5-6-22-23(10-17)35-8-7-34-22/h5-6,9-11,13-14H,7-8,12H2,1-4H3,(H,27,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	620	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of human EZH2 using SAM and histone H3 (16 to 30) as substrate preincubated for 30 mins followed by substrate addition measured after 90 m...				J Med Chem 58: 1596-629 (2015) Article DOI: 10.1021/jm501234a BindingDB Entry DOI: 10.7270/Q28K7BS2
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50075053 (CHEMBL3414618) Show SMILES CC(C)n1ncc2c(cc(nc12)-c1ccc2OCCOc2c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C26H27N5O4/c1-14(2)31-24-20(13-28-31)18(25(32)27-12-19-15(3)9-16(4)29-26(19)33)11-21(30-24)17-5-6-22-23(10-17)35-8-7-34-22/h5-6,9-11,13-14H,7-8,12H2,1-4H3,(H,27,32)(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme Curated by ChEMBL					Assay Description Inhibition of methyltransferase activity of human EZH2 using chicken oligonucleotide as substrate by pull down assay				J Med Chem 59: 1556-64 (2016) BindingDB Entry DOI: 10.7270/Q2B56MM7
					More data for this Ligand-Target Pair