Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone-lysine N-methyltransferase EZH2' and Ligand = 'BDBM50246938'   

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))	BDBM50246938 (CHEMBL4082565) Show SMILES COc1cc(C)[nH]c(=O)c1CN1CCc2c(Cl)cc(-c3c(C)noc3C)c(Cl)c2C1=O |(36.87,-43.31,;36.88,-41.77,;38.22,-41.01,;39.54,-41.78,;40.88,-41.02,;42.21,-41.8,;40.89,-39.48,;39.56,-38.7,;39.56,-37.16,;38.23,-39.47,;36.9,-38.69,;35.57,-39.46,;35.57,-41,;34.24,-41.76,;32.91,-41,;31.59,-41.76,;31.59,-43.3,;30.26,-41,;30.26,-39.46,;28.91,-38.69,;27.51,-39.32,;27.19,-40.82,;26.48,-38.17,;27.25,-36.84,;28.75,-37.16,;29.9,-36.13,;31.59,-38.69,;31.59,-37.15,;32.91,-39.46,;34.24,-38.68,;34.24,-37.14,)| Show InChI InChI=1S/C22H21Cl2N3O4/c1-10-7-17(30-4)15(21(28)25-10)9-27-6-5-13-16(23)8-14(20(24)19(13)22(27)29)18-11(2)26-31-12(18)3/h7-8H,5-6,9H2,1-4H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
WuXi AppTec Curated by ChEMBL					Assay Description Inhibition of EZH2 in human KARPAS422 cells assessed as reduction in H3K27me3 level after 72 hrs by ELISA				J Med Chem 61: 650-665 (2018) Article DOI: 10.1021/acs.jmedchem.7b01375 BindingDB Entry DOI: 10.7270/Q2X069G8
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