BDBM172165 EPZ008205::US10155002, Compound 173::US9090562, 173::US9175331, 24

SMILES: CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1

InChI Key: InChIKey=FTUGIYDOSRLWHX-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 = 172165   

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))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.9	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))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.28	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))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.9	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))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.30	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
EZH2(Y641F) (Homo sapiens (Human))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	9.28	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))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10.1	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))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12.9	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))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.28	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))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	12.9	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))	BDBM172165 (EPZ008205 | US10155002, Compound 173 | US11052093,...) Show SMILES CCN(C1CCOCC1)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H42N6O3/c1-5-38(26-8-14-41-15-9-26)29-18-25(24-6-7-30(34-19-24)37-12-10-33-11-13-37)17-27(23(29)4)31(39)35-20-28-21(2)16-22(3)36-32(28)40/h6-7,16-19,26,33H,5,8-15,20H2,1-4H3,(H,35,39)(H,36,40)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11.2	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