BDBM172072 US10155002, Compound 78::US9090562, 78

SMILES: CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(O)CC2)cc1

InChI Key: InChIKey=WXDLXEUEQVHAGV-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 = 172072   

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))	BDBM172072 (US10155002, Compound 78 | US11052093, Compound 78 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(O)CC2)cc1 Show InChI InChI=1S/C35H46N4O4/c1-5-39(29-12-16-43-17-13-29)33-20-28(27-8-6-26(7-9-27)22-38-14-10-30(40)11-15-38)19-31(25(33)4)34(41)36-21-32-23(2)18-24(3)37-35(32)42/h6-9,18-20,29-30,40H,5,10-17,21-22H2,1-4H3,(H,36,41)(H,37,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.24	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))	BDBM172072 (US10155002, Compound 78 | US11052093, Compound 78 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(O)CC2)cc1 Show InChI InChI=1S/C35H46N4O4/c1-5-39(29-12-16-43-17-13-29)33-20-28(27-8-6-26(7-9-27)22-38-14-10-30(40)11-15-38)19-31(25(33)4)34(41)36-21-32-23(2)18-24(3)37-35(32)42/h6-9,18-20,29-30,40H,5,10-17,21-22H2,1-4H3,(H,36,41)(H,37,42)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.76	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))	BDBM172072 (US10155002, Compound 78 | US11052093, Compound 78 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(O)CC2)cc1 Show InChI InChI=1S/C35H46N4O4/c1-5-39(29-12-16-43-17-13-29)33-20-28(27-8-6-26(7-9-27)22-38-14-10-30(40)11-15-38)19-31(25(33)4)34(41)36-21-32-23(2)18-24(3)37-35(32)42/h6-9,18-20,29-30,40H,5,10-17,21-22H2,1-4H3,(H,36,41)(H,37,42)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	4.76	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))	BDBM172072 (US10155002, Compound 78 | US11052093, Compound 78 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(O)CC2)cc1 Show InChI InChI=1S/C35H46N4O4/c1-5-39(29-12-16-43-17-13-29)33-20-28(27-8-6-26(7-9-27)22-38-14-10-30(40)11-15-38)19-31(25(33)4)34(41)36-21-32-23(2)18-24(3)37-35(32)42/h6-9,18-20,29-30,40H,5,10-17,21-22H2,1-4H3,(H,36,41)(H,37,42)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.76	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))	BDBM172072 (US10155002, Compound 78 | US11052093, Compound 78 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(O)CC2)cc1 Show InChI InChI=1S/C35H46N4O4/c1-5-39(29-12-16-43-17-13-29)33-20-28(27-8-6-26(7-9-27)22-38-14-10-30(40)11-15-38)19-31(25(33)4)34(41)36-21-32-23(2)18-24(3)37-35(32)42/h6-9,18-20,29-30,40H,5,10-17,21-22H2,1-4H3,(H,36,41)(H,37,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	3.24	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))	BDBM172072 (US10155002, Compound 78 | US11052093, Compound 78 ...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(CN2CCC(O)CC2)cc1 Show InChI InChI=1S/C35H46N4O4/c1-5-39(29-12-16-43-17-13-29)33-20-28(27-8-6-26(7-9-27)22-38-14-10-30(40)11-15-38)19-31(25(33)4)34(41)36-21-32-23(2)18-24(3)37-35(32)42/h6-9,18-20,29-30,40H,5,10-17,21-22H2,1-4H3,(H,36,41)(H,37,42)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3.24	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