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SMILES: COC(C1CCN(CC1)C1COC1)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl

InChI Key: InChIKey=LLFVIZDNXQHAMM-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50246937   

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))	BDBM50246937 (CHEMBL4079181 | US10570121, Example 157) Show SMILES COC(C1CCN(CC1)C1COC1)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C27H33Cl2N3O4/c1-15-10-16(2)30-26(33)21(15)12-32-9-6-19-22(28)11-20(24(29)23(19)27(32)34)25(35-3)17-4-7-31(8-5-17)18-13-36-14-18/h10-11,17-18,25H,4-9,12-14H2,1-3H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	US Patent	0.600	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 (Homo sapiens (Human))	BDBM50246937 (CHEMBL4079181 | US10570121, Example 157) Show SMILES COC(C1CCN(CC1)C1COC1)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C27H33Cl2N3O4/c1-15-10-16(2)30-26(33)21(15)12-32-9-6-19-22(28)11-20(24(29)23(19)27(32)34)25(35-3)17-4-7-31(8-5-17)18-13-36-14-18/h10-11,17-18,25H,4-9,12-14H2,1-3H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	US Patent	375	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))	BDBM50246937 (CHEMBL4079181 | US10570121, Example 157) Show SMILES COC(C1CCN(CC1)C1COC1)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C27H33Cl2N3O4/c1-15-10-16(2)30-26(33)21(15)12-32-9-6-19-22(28)11-20(24(29)23(19)27(32)34)25(35-3)17-4-7-31(8-5-17)18-13-36-14-18/h10-11,17-18,25H,4-9,12-14H2,1-3H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	US Patent	n/a	n/a	9	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))	BDBM50246937 (CHEMBL4079181 | US10570121, Example 157) Show SMILES COC(C1CCN(CC1)C1COC1)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C27H33Cl2N3O4/c1-15-10-16(2)30-26(33)21(15)12-32-9-6-19-22(28)11-20(24(29)23(19)27(32)34)25(35-3)17-4-7-31(8-5-17)18-13-36-14-18/h10-11,17-18,25H,4-9,12-14H2,1-3H3,(H,30,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Patents	US Patent	n/a	n/a	1.71E+3	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))	BDBM50246937 (CHEMBL4079181 | US10570121, Example 157) Show SMILES COC(C1CCN(CC1)C1COC1)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C27H33Cl2N3O4/c1-15-10-16(2)30-26(33)21(15)12-32-9-6-19-22(28)11-20(24(29)23(19)27(32)34)25(35-3)17-4-7-31(8-5-17)18-13-36-14-18/h10-11,17-18,25H,4-9,12-14H2,1-3H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.31E+3	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))	BDBM50246937 (CHEMBL4079181 | US10570121, Example 157) Show SMILES COC(C1CCN(CC1)C1COC1)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C27H33Cl2N3O4/c1-15-10-16(2)30-26(33)21(15)12-32-9-6-19-22(28)11-20(24(29)23(19)27(32)34)25(35-3)17-4-7-31(8-5-17)18-13-36-14-18/h10-11,17-18,25H,4-9,12-14H2,1-3H3,(H,30,33)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	16	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