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SMILES: [H][C@@]1(CCCO1)[C@@H](CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl

InChI Key: InChIKey=MGRNSIQUUQNPAS-PKOBYXMFSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50246968   

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))	BDBM50246968 (CHEMBL4093757 | US10570121, Example 13) Show SMILES [H][C@@]1(CCCO1)[C@@H](CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |r| Show InChI InChI=1S/C23H26Cl2N2O4/c1-12-8-13(2)26-22(29)16(12)10-27-6-5-14-18(24)9-15(21(25)20(14)23(27)30)17(11-28)19-4-3-7-31-19/h8-9,17,19,28H,3-7,10-11H2,1-2H3,(H,26,29)/t17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in ...				US Patent US10570121 (2020) BindingDB Entry DOI: 10.7270/Q28W3GQD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 [2-746,Y641N] (Homo sapiens (Human))	BDBM50246968 (CHEMBL4093757 | US10570121, Example 13) Show SMILES [H][C@@]1(CCCO1)[C@@H](CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |r| Show InChI InChI=1S/C23H26Cl2N2O4/c1-12-8-13(2)26-22(29)16(12)10-27-6-5-14-18(24)9-15(21(25)20(14)23(27)30)17(11-28)19-4-3-7-31-19/h8-9,17,19,28H,3-7,10-11H2,1-2H3,(H,26,29)/t17-,19+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description A. Compound preparation1. Prepare 10 mM stock solutions in 100% DMSO from solid material2. Serial dilute 10 mM compound stocks either 2 or 3-fold in ...				US Patent US10570121 (2020) BindingDB Entry DOI: 10.7270/Q28W3GQD
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50246968 (CHEMBL4093757 | US10570121, Example 13) Show SMILES [H][C@@]1(CCCO1)[C@@H](CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |r| Show InChI InChI=1S/C23H26Cl2N2O4/c1-12-8-13(2)26-22(29)16(12)10-27-6-5-14-18(24)9-15(21(25)20(14)23(27)30)17(11-28)19-4-3-7-31-19/h8-9,17,19,28H,3-7,10-11H2,1-2H3,(H,26,29)/t17-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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
					More data for this Ligand-Target Pair