BDBM50246963 CHEMBL4072040::US10570121, Example 30

SMILES: CCC(CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl

InChI Key: InChIKey=JJVNTPVKPJMUOA-UHFFFAOYSA-N

Data: 8 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50246963   

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))	BDBM50246963 (CHEMBL4072040 | US10570121, Example 30) Show SMILES CCC(CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-4-13(10-26)15-8-17(22)14-5-6-25(21(28)18(14)19(15)23)9-16-11(2)7-12(3)24-20(16)27/h7-8,13,26H,4-6,9-10H2,1-3H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	682	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))	BDBM50246963 (CHEMBL4072040 | US10570121, Example 30) Show SMILES CCC(CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-4-13(10-26)15-8-17(22)14-5-6-25(21(28)18(14)19(15)23)9-16-11(2)7-12(3)24-20(16)27/h7-8,13,26H,4-6,9-10H2,1-3H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	139	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))	BDBM50246963 (CHEMBL4072040 | US10570121, Example 30) Show SMILES CCC(CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-4-13(10-26)15-8-17(22)14-5-6-25(21(28)18(14)19(15)23)9-16-11(2)7-12(3)24-20(16)27/h7-8,13,26H,4-6,9-10H2,1-3H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	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 (Y641N) (Homo sapiens (Human))	BDBM50246963 (CHEMBL4072040 | US10570121, Example 30) Show SMILES CCC(CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-4-13(10-26)15-8-17(22)14-5-6-25(21(28)18(14)19(15)23)9-16-11(2)7-12(3)24-20(16)27/h7-8,13,26H,4-6,9-10H2,1-3H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	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))	BDBM50246963 (CHEMBL4072040 | US10570121, Example 30) Show SMILES CCC(CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-4-13(10-26)15-8-17(22)14-5-6-25(21(28)18(14)19(15)23)9-16-11(2)7-12(3)24-20(16)27/h7-8,13,26H,4-6,9-10H2,1-3H3,(H,24,27)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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 (Y641N) (Homo sapiens (Human))	BDBM50246963 (CHEMBL4072040 | US10570121, Example 30) Show SMILES CCC(CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-4-13(10-26)15-8-17(22)14-5-6-25(21(28)18(14)19(15)23)9-16-11(2)7-12(3)24-20(16)27/h7-8,13,26H,4-6,9-10H2,1-3H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	107	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))	BDBM50246963 (CHEMBL4072040 | US10570121, Example 30) Show SMILES CCC(CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-4-13(10-26)15-8-17(22)14-5-6-25(21(28)18(14)19(15)23)9-16-11(2)7-12(3)24-20(16)27/h7-8,13,26H,4-6,9-10H2,1-3H3,(H,24,27)	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 (Y641N) (Homo sapiens (Human))	BDBM50246963 (CHEMBL4072040 | US10570121, Example 30) Show SMILES CCC(CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-4-13(10-26)15-8-17(22)14-5-6-25(21(28)18(14)19(15)23)9-16-11(2)7-12(3)24-20(16)27/h7-8,13,26H,4-6,9-10H2,1-3H3,(H,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	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