Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 2 entry = 50015390   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50193709 (CHEMBL3911017) Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)| Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EZH2 in HEK293T cells assessed as H3K27me3 levels incubated for 48 hrs by flow cytometry				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00448 BindingDB Entry DOI: 10.7270/Q2J10735
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50586159 (CHEMBL5087917) Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCNc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.78,;2.93,-1.29,;4.02,-.2,;5.51,-.6,;6.6,.49,;8.09,.09,;6.2,1.98,;4.71,2.37,;4.31,3.86,;3.62,1.29,;2.14,1.68,;1.05,.6,;1.72,-.78,;1.05,-2.15,;-.45,-2.51,;-1.65,-1.55,;-2.98,-2.32,;-2.98,-3.86,;-4.32,-1.56,;-4.32,-.01,;-5.65,.76,;-7.06,.13,;-7.45,-1.36,;-8.09,1.27,;-7.32,2.61,;-5.81,2.29,;-4.72,3.38,;-2.98,.75,;-2.98,2.29,;-1.65,-.01,;-.46,.94,;-.85,2.42,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EZH2 in HEK293T cells assessed as H3K27me3 levels incubated for 48 hrs by flow cytometry				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00448 BindingDB Entry DOI: 10.7270/Q2J10735
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50586160 (CHEMBL5085993) Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCN(C)c2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(3.33,-2.71,;2.93,-1.22,;4.02,-.13,;5.51,-.53,;6.6,.56,;8.09,.16,;6.2,2.05,;4.71,2.44,;4.31,3.93,;3.62,1.35,;2.14,1.75,;1.05,.66,;1.72,-.71,;1.05,-2.09,;-.45,-2.44,;-.85,-3.93,;-1.65,-1.48,;-2.98,-2.25,;-2.98,-3.79,;-4.32,-1.49,;-4.32,.05,;-5.65,.82,;-7.06,.2,;-7.45,-1.29,;-8.09,1.34,;-7.32,2.68,;-5.81,2.36,;-4.72,3.44,;-2.98,.82,;-2.98,2.36,;-1.65,.06,;-.46,1.01,;-.85,2.49,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EZH2 in HEK293T cells assessed as H3K27me3 levels incubated for 48 hrs by flow cytometry				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00448 BindingDB Entry DOI: 10.7270/Q2J10735
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50586153 (CHEMBL5078476) Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)n(C)c3=O)C(=O)c2c1Cl |(-7.25,-1.11,;-6.85,.37,;-7.88,1.52,;-7.11,2.85,;-5.61,2.53,;-4.52,3.62,;-5.45,1,;-4.11,.23,;-4.11,-1.32,;-2.78,-2.08,;-2.78,-3.62,;-1.45,-1.31,;-.12,-2.08,;1.22,-1.31,;1.22,.23,;2.55,1,;3.88,.23,;3.88,-1.31,;2.55,-2.08,;5.22,-2.08,;6.55,-1.31,;7.88,-2.08,;6.55,.23,;7.88,1,;5.22,1,;5.22,2.54,;-.12,1,;-.12,2.54,;-1.45,.23,;-2.78,1,;-2.78,2.54,)| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of EZH2 in HEK293T cells assessed as H3K27me3 levels incubated for 48 hrs by flow cytometry				Citation and Details Article DOI: 10.1021/acsmedchemlett.1c00448 BindingDB Entry DOI: 10.7270/Q2J10735
					More data for this Ligand-Target Pair