null

SMILES: Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1

InChI Key: InChIKey=GJPUEPDRSRFYRD-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50246944   

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))	BDBM50246944 (CHEMBL4080606 | US10570121, Example 38) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C24H28Cl2N2O4/c1-13-9-14(2)27-23(30)18(13)11-28-6-3-16-20(25)10-17(22(26)21(16)24(28)31)19(12-29)15-4-7-32-8-5-15/h9-10,15,19,29H,3-8,11-12H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+4	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
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50246944 (CHEMBL4080606 | US10570121, Example 38) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C24H28Cl2N2O4/c1-13-9-14(2)27-23(30)18(13)11-28-6-3-16-20(25)10-17(22(26)21(16)24(28)31)19(12-29)15-4-7-32-8-5-15/h9-10,15,19,29H,3-8,11-12H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	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
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50246944 (CHEMBL4080606 | US10570121, Example 38) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C24H28Cl2N2O4/c1-13-9-14(2)27-23(30)18(13)11-28-6-3-16-20(25)10-17(22(26)21(16)24(28)31)19(12-29)15-4-7-32-8-5-15/h9-10,15,19,29H,3-8,11-12H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	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))	BDBM50246944 (CHEMBL4080606 | US10570121, Example 38) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C24H28Cl2N2O4/c1-13-9-14(2)27-23(30)18(13)11-28-6-3-16-20(25)10-17(22(26)21(16)24(28)31)19(12-29)15-4-7-32-8-5-15/h9-10,15,19,29H,3-8,11-12H2,1-2H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	740	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))	BDBM50246944 (CHEMBL4080606 | US10570121, Example 38) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C24H28Cl2N2O4/c1-13-9-14(2)27-23(30)18(13)11-28-6-3-16-20(25)10-17(22(26)21(16)24(28)31)19(12-29)15-4-7-32-8-5-15/h9-10,15,19,29H,3-8,11-12H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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))	BDBM50246944 (CHEMBL4080606 | US10570121, Example 38) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C24H28Cl2N2O4/c1-13-9-14(2)27-23(30)18(13)11-28-6-3-16-20(25)10-17(22(26)21(16)24(28)31)19(12-29)15-4-7-32-8-5-15/h9-10,15,19,29H,3-8,11-12H2,1-2H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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))	BDBM50246944 (CHEMBL4080606 | US10570121, Example 38) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C24H28Cl2N2O4/c1-13-9-14(2)27-23(30)18(13)11-28-6-3-16-20(25)10-17(22(26)21(16)24(28)31)19(12-29)15-4-7-32-8-5-15/h9-10,15,19,29H,3-8,11-12H2,1-2H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	378	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))	BDBM50246944 (CHEMBL4080606 | US10570121, Example 38) Show SMILES Cc1cc(C)c(CN2CCc3c(Cl)cc(C(CO)C4CCOCC4)c(Cl)c3C2=O)c(=O)[nH]1 Show InChI InChI=1S/C24H28Cl2N2O4/c1-13-9-14(2)27-23(30)18(13)11-28-6-3-16-20(25)10-17(22(26)21(16)24(28)31)19(12-29)15-4-7-32-8-5-15/h9-10,15,19,29H,3-8,11-12H2,1-2H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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