BDBM172164 US10155002, Compound 172::US9090562, 172

SMILES: CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1

InChI Key:

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 = 172164   

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))	BDBM172164 (US10155002, Compound 172 | US11052093, Compound 17...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 |r,wU:3.2,wD:6.9,(2.7,8,;1.93,6.67,;2.7,5.33,;4.24,5.33,;5.01,6.67,;6.55,6.67,;7.32,5.33,;6.55,4,;5.01,4,;8.86,5.33,;9.63,6.67,;9.63,4,;1.93,4,;.39,4,;-.38,2.67,;.39,1.33,;1.93,1.33,;2.7,,;4.24,,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;2.7,-5.33,;4.24,-5.33,;1.93,-6.67,;.39,-6.67,;-.38,-8,;-.38,-5.33,;.39,-4,;-.38,-2.67,;2.7,2.67,;4.24,2.67,;-1.92,2.67,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-2.69,1.33,;-6.54,2.67,;-7.32,4,;-8.86,4,;-9.63,2.67,;-8.86,1.33,;-7.32,1.33,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.26	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))	BDBM172164 (US10155002, Compound 172 | US11052093, Compound 17...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 |r,wU:3.2,wD:6.9,(2.7,8,;1.93,6.67,;2.7,5.33,;4.24,5.33,;5.01,6.67,;6.55,6.67,;7.32,5.33,;6.55,4,;5.01,4,;8.86,5.33,;9.63,6.67,;9.63,4,;1.93,4,;.39,4,;-.38,2.67,;.39,1.33,;1.93,1.33,;2.7,,;4.24,,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;2.7,-5.33,;4.24,-5.33,;1.93,-6.67,;.39,-6.67,;-.38,-8,;-.38,-5.33,;.39,-4,;-.38,-2.67,;2.7,2.67,;4.24,2.67,;-1.92,2.67,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-2.69,1.33,;-6.54,2.67,;-7.32,4,;-8.86,4,;-9.63,2.67,;-8.86,1.33,;-7.32,1.33,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.21	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))	BDBM172164 (US10155002, Compound 172 | US11052093, Compound 17...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 |r,wU:3.2,wD:6.9,(2.7,8,;1.93,6.67,;2.7,5.33,;4.24,5.33,;5.01,6.67,;6.55,6.67,;7.32,5.33,;6.55,4,;5.01,4,;8.86,5.33,;9.63,6.67,;9.63,4,;1.93,4,;.39,4,;-.38,2.67,;.39,1.33,;1.93,1.33,;2.7,,;4.24,,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;2.7,-5.33,;4.24,-5.33,;1.93,-6.67,;.39,-6.67,;-.38,-8,;-.38,-5.33,;.39,-4,;-.38,-2.67,;2.7,2.67,;4.24,2.67,;-1.92,2.67,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-2.69,1.33,;-6.54,2.67,;-7.32,4,;-8.86,4,;-9.63,2.67,;-8.86,1.33,;-7.32,1.33,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	4.21	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))	BDBM172164 (US10155002, Compound 172 | US11052093, Compound 17...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 |r,wU:3.2,wD:6.9,(2.7,8,;1.93,6.67,;2.7,5.33,;4.24,5.33,;5.01,6.67,;6.55,6.67,;7.32,5.33,;6.55,4,;5.01,4,;8.86,5.33,;9.63,6.67,;9.63,4,;1.93,4,;.39,4,;-.38,2.67,;.39,1.33,;1.93,1.33,;2.7,,;4.24,,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;2.7,-5.33,;4.24,-5.33,;1.93,-6.67,;.39,-6.67,;-.38,-8,;-.38,-5.33,;.39,-4,;-.38,-2.67,;2.7,2.67,;4.24,2.67,;-1.92,2.67,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-2.69,1.33,;-6.54,2.67,;-7.32,4,;-8.86,4,;-9.63,2.67,;-8.86,1.33,;-7.32,1.33,)| Show InChI	PDB MMDB KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4.21	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))	BDBM172164 (US10155002, Compound 172 | US11052093, Compound 17...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 |r,wU:3.2,wD:6.9,(2.7,8,;1.93,6.67,;2.7,5.33,;4.24,5.33,;5.01,6.67,;6.55,6.67,;7.32,5.33,;6.55,4,;5.01,4,;8.86,5.33,;9.63,6.67,;9.63,4,;1.93,4,;.39,4,;-.38,2.67,;.39,1.33,;1.93,1.33,;2.7,,;4.24,,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;2.7,-5.33,;4.24,-5.33,;1.93,-6.67,;.39,-6.67,;-.38,-8,;-.38,-5.33,;.39,-4,;-.38,-2.67,;2.7,2.67,;4.24,2.67,;-1.92,2.67,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-2.69,1.33,;-6.54,2.67,;-7.32,4,;-8.86,4,;-9.63,2.67,;-8.86,1.33,;-7.32,1.33,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars		n/a	n/a	9.26	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))	BDBM172164 (US10155002, Compound 172 | US11052093, Compound 17...) Show SMILES CCN([C@H]1CC[C@@H](CC1)N(C)C)c1cc(cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)-c1ccc(nc1)N1CCNCC1 |r,wU:3.2,wD:6.9,(2.7,8,;1.93,6.67,;2.7,5.33,;4.24,5.33,;5.01,6.67,;6.55,6.67,;7.32,5.33,;6.55,4,;5.01,4,;8.86,5.33,;9.63,6.67,;9.63,4,;1.93,4,;.39,4,;-.38,2.67,;.39,1.33,;1.93,1.33,;2.7,,;4.24,,;1.93,-1.33,;2.7,-2.67,;1.93,-4,;2.7,-5.33,;4.24,-5.33,;1.93,-6.67,;.39,-6.67,;-.38,-8,;-.38,-5.33,;.39,-4,;-.38,-2.67,;2.7,2.67,;4.24,2.67,;-1.92,2.67,;-2.69,4,;-4.23,4,;-5,2.67,;-4.23,1.33,;-2.69,1.33,;-6.54,2.67,;-7.32,4,;-8.86,4,;-9.63,2.67,;-8.86,1.33,;-7.32,1.33,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9.26	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