BDBM172167 EPZ008338::US10155002, Compound 175::US9090562, 175::US9175331, 33

SMILES: CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1

InChI Key:

Data: 8 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 10 hits for monomerid = 172167   

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))	BDBM172167 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.9	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
EZH2(Y641F) (Homo sapiens (Human))	BDBM172167 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.55	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))	BDBM172167 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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))	BDBM172167 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.60	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
EZH2(Y641F) (Homo sapiens (Human))	US11052093, Compound 175 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	9.55	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 (A687V) (Homo sapiens (Human))	BDBM172167 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7.20	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 (Homo sapiens (Human))	BDBM172167 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	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
EZH2(Y641F) (Homo sapiens (Human))	BDBM172167 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.55	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))	US11052093, Compound 175 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	12	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 (A677G) (Homo sapiens (Human))	BDBM172167 (EPZ008338 | US10155002, Compound 175 | US9090562, ...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1cnc(C)cn1 |r,wU:3.2,wD:6.9,(-2,5.78,;-3.33,5,;-3.33,3.47,;-4.67,2.69,;-4.67,1.15,;-6,.38,;-7.34,1.15,;-7.34,2.69,;-6,3.47,;-8.67,.38,;-10,1.15,;-8.67,-1.15,;-2,2.69,;-2,1.15,;-.67,.38,;.67,1.15,;.67,2.69,;2,3.47,;2,5,;3.33,2.69,;4.67,3.47,;6,2.69,;7.34,3.47,;7.34,5,;8.67,2.69,;8.67,1.15,;10,.38,;7.34,.38,;6,1.15,;4.67,.38,;-.67,3.47,;-.67,5,;-.67,-1.15,;-2,-1.93,;-2,-3.47,;-.67,-4.23,;-.67,-5.78,;.67,-3.47,;.67,-1.93,)| Show InChI	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.10	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