BDBM172168 EPZ008495::US10155002, Compound 176::US9090562, 176::US9175331, 38

SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=GAYPXEWQCCLAHL-UHFFFAOYSA-N

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 = 172168   

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))	BDBM172168 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.4	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))	BDBM172168 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	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))	BDBM172168 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.4	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))	BDBM172168 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.4	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 176 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	10.3	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))	BDBM172168 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8.40	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))	BDBM172168 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13.4	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))	BDBM172168 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.3	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 176 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	13.4	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 (A677G) (Homo sapiens (Human))	BDBM172168 (EPZ008495 | US10155002, Compound 176 | US9090562, ...) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc(N(CC)C2CCOCC2)c1C)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C36H48N4O4/c1-5-7-29-20-25(3)38-36(42)33(29)23-37-35(41)32-21-30(22-34(26(32)4)40(6-2)31-12-16-43-17-13-31)28-10-8-27(9-11-28)24-39-14-18-44-19-15-39/h8-11,20-22,31H,5-7,12-19,23-24H2,1-4H3,(H,37,41)(H,38,42)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.30	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