BDBM50246966 CHEMBL4061098::US10570121, Example 16

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

InChI Key: InChIKey=WAXGOKRGWNLIQS-UHFFFAOYSA-N

Data: 2 KI  4 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 6 hits for monomerid = 50246966   

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))	BDBM50246966 (CHEMBL4061098 | US10570121, Example 16) Show SMILES CCC(OC)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-5-17(28-4)14-9-16(22)13-6-7-25(21(27)18(13)19(14)23)10-15-11(2)8-12(3)24-20(15)26/h8-9,17H,5-7,10H2,1-4H3,(H,24,26)	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 (Homo sapiens (Human))	BDBM50246966 (CHEMBL4061098 | US10570121, Example 16) Show SMILES CCC(OC)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-5-17(28-4)14-9-16(22)13-6-7-25(21(27)18(13)19(14)23)10-15-11(2)8-12(3)24-20(15)26/h8-9,17H,5-7,10H2,1-4H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4	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))	BDBM50246966 (CHEMBL4061098 | US10570121, Example 16) Show SMILES CCC(OC)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-5-17(28-4)14-9-16(22)13-6-7-25(21(27)18(13)19(14)23)10-15-11(2)8-12(3)24-20(15)26/h8-9,17H,5-7,10H2,1-4H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	72	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 (Y641N) (Homo sapiens (Human))	BDBM50246966 (CHEMBL4061098 | US10570121, Example 16) Show SMILES CCC(OC)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-5-17(28-4)14-9-16(22)13-6-7-25(21(27)18(13)19(14)23)10-15-11(2)8-12(3)24-20(15)26/h8-9,17H,5-7,10H2,1-4H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	40	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))	BDBM50246966 (CHEMBL4061098 | US10570121, Example 16) Show SMILES CCC(OC)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-5-17(28-4)14-9-16(22)13-6-7-25(21(27)18(13)19(14)23)10-15-11(2)8-12(3)24-20(15)26/h8-9,17H,5-7,10H2,1-4H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	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))	BDBM50246966 (CHEMBL4061098 | US10570121, Example 16) Show SMILES CCC(OC)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C21H24Cl2N2O3/c1-5-17(28-4)14-9-16(22)13-6-7-25(21(27)18(13)19(14)23)10-15-11(2)8-12(3)24-20(15)26/h8-9,17H,5-7,10H2,1-4H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	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