BDBM190206 EPZ008494::US9175331, 37

SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)[C@H]2CC[C@@H](CC2)N(C)C)c1C

InChI Key:

Data: 4 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 4 hits for monomerid = 190206   

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))	BDBM190206 (EPZ008494 | US9175331, 37) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)[C@H]2CC[C@@H](CC2)N(C)C)c1C |r,wU:24.24,wD:27.31,(-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-4.67,-6.16,;-4.67,-7.7,;-6,-8.47,;-3.33,-8.47,;-2,-7.7,;-.67,-8.47,;-2,-6.16,;-.67,-5.39,;-.67,-3.85,;.67,-3.08,;2,-3.85,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;.67,1.54,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;3.33,3.08,;2,3.85,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,7.7,;2,8.47,;4.67,8.47,;2,-.77,;3.33,-1.54,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...				US Patent US9175331 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JQP
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A687V) (Homo sapiens (Human))	BDBM190206 (EPZ008494 | US9175331, 37) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)[C@H]2CC[C@@H](CC2)N(C)C)c1C |r,wU:24.24,wD:27.31,(-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-4.67,-6.16,;-4.67,-7.7,;-6,-8.47,;-3.33,-8.47,;-2,-7.7,;-.67,-8.47,;-2,-6.16,;-.67,-5.39,;-.67,-3.85,;.67,-3.08,;2,-3.85,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;.67,1.54,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;3.33,3.08,;2,3.85,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,7.7,;2,8.47,;4.67,8.47,;2,-.77,;3.33,-1.54,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...				US Patent US9175331 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JQP
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (A677G) (Homo sapiens (Human))	BDBM190206 (EPZ008494 | US9175331, 37) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)[C@H]2CC[C@@H](CC2)N(C)C)c1C |r,wU:24.24,wD:27.31,(-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-4.67,-6.16,;-4.67,-7.7,;-6,-8.47,;-3.33,-8.47,;-2,-7.7,;-.67,-8.47,;-2,-6.16,;-.67,-5.39,;-.67,-3.85,;.67,-3.08,;2,-3.85,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;.67,1.54,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;3.33,3.08,;2,3.85,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,7.7,;2,8.47,;4.67,8.47,;2,-.77,;3.33,-1.54,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...				US Patent US9175331 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JQP
					More data for this Ligand-Target Pair
EZH2(Y641F) (Homo sapiens (Human))	BDBM190206 (EPZ008494 | US9175331, 37) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(Cl)cc(N(CC)[C@H]2CC[C@@H](CC2)N(C)C)c1C |r,wU:24.24,wD:27.31,(-4.67,-1.54,;-4.67,-3.08,;-3.33,-3.85,;-3.33,-5.39,;-4.67,-6.16,;-4.67,-7.7,;-6,-8.47,;-3.33,-8.47,;-2,-7.7,;-.67,-8.47,;-2,-6.16,;-.67,-5.39,;-.67,-3.85,;.67,-3.08,;2,-3.85,;.67,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;.67,1.54,;2,.77,;3.33,1.54,;4.67,.77,;6,1.54,;3.33,3.08,;2,3.85,;2,5.39,;3.33,6.16,;4.67,5.39,;4.67,3.85,;3.33,7.7,;2,8.47,;4.67,8.47,;2,-.77,;3.33,-1.54,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
Epizyme, Inc. US Patent					Assay Description Test compounds were serially diluted 3-fold in DMSO in a 10 point-curve and 1 uL was spotted into a 384-well microplate in duplicate using a Platemat...				US Patent US9175331 (2015) BindingDB Entry DOI: 10.7270/Q2ZW1JQP
					More data for this Ligand-Target Pair