BDBM172076 US10155002, Compound 82::US9090562, 82

SMILES: CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC2)cc1

InChI Key: InChIKey=LOXJICZOIRMYTE-UHFFFAOYSA-N

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 6 hits for monomerid = 172076   

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))	BDBM172076 (US10155002, Compound 82 | US11052093, Compound 82 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC2)cc1 Show InChI InChI=1S/C33H42N4O3/c1-5-37(28-11-15-40-16-12-28)31-19-27(26-9-7-25(8-10-26)21-36-13-6-14-36)18-29(24(31)4)32(38)34-20-30-22(2)17-23(3)35-33(30)39/h7-10,17-19,28H,5-6,11-16,20-21H2,1-4H3,(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	3.52	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))	BDBM172076 (US10155002, Compound 82 | US11052093, Compound 82 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC2)cc1 Show InChI InChI=1S/C33H42N4O3/c1-5-37(28-11-15-40-16-12-28)31-19-27(26-9-7-25(8-10-26)21-36-13-6-14-36)18-29(24(31)4)32(38)34-20-30-22(2)17-23(3)35-33(30)39/h7-10,17-19,28H,5-6,11-16,20-21H2,1-4H3,(H,34,38)(H,35,39)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.81	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))	BDBM172076 (US10155002, Compound 82 | US11052093, Compound 82 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC2)cc1 Show InChI InChI=1S/C33H42N4O3/c1-5-37(28-11-15-40-16-12-28)31-19-27(26-9-7-25(8-10-26)21-36-13-6-14-36)18-29(24(31)4)32(38)34-20-30-22(2)17-23(3)35-33(30)39/h7-10,17-19,28H,5-6,11-16,20-21H2,1-4H3,(H,34,38)(H,35,39)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	2.81	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
EZH2(Y641F) (Homo sapiens (Human))	BDBM172076 (US10155002, Compound 82 | US11052093, Compound 82 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC2)cc1 Show InChI InChI=1S/C33H42N4O3/c1-5-37(28-11-15-40-16-12-28)31-19-27(26-9-7-25(8-10-26)21-36-13-6-14-36)18-29(24(31)4)32(38)34-20-30-22(2)17-23(3)35-33(30)39/h7-10,17-19,28H,5-6,11-16,20-21H2,1-4H3,(H,34,38)(H,35,39)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.81	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))	BDBM172076 (US10155002, Compound 82 | US11052093, Compound 82 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC2)cc1 Show InChI InChI=1S/C33H42N4O3/c1-5-37(28-11-15-40-16-12-28)31-19-27(26-9-7-25(8-10-26)21-36-13-6-14-36)18-29(24(31)4)32(38)34-20-30-22(2)17-23(3)35-33(30)39/h7-10,17-19,28H,5-6,11-16,20-21H2,1-4H3,(H,34,38)(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	3.52	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))	BDBM172076 (US10155002, Compound 82 | US11052093, Compound 82 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC2)cc1 Show InChI InChI=1S/C33H42N4O3/c1-5-37(28-11-15-40-16-12-28)31-19-27(26-9-7-25(8-10-26)21-36-13-6-14-36)18-29(24(31)4)32(38)34-20-30-22(2)17-23(3)35-33(30)39/h7-10,17-19,28H,5-6,11-16,20-21H2,1-4H3,(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	3.52	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