BDBM50246933 CHEMBL4094432::US10570121, Example 165

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

InChI Key: InChIKey=BAZSIHCUHJGWQQ-UHFFFAOYSA-N

Data: 5 KI  9 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 14 hits for monomerid = 50246933   

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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.300	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<1	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<1	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	136	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	200	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	105	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	443	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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 (Y641N) (Homo sapiens (Human))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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
Histone-lysine N-methyltransferase EZH2 (Y641N) (Homo sapiens (Human))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.97E+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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	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))	BDBM50246933 (CHEMBL4094432 | US10570121, Example 165) Show SMILES COC(C1CCN(CC1)C(=O)CO)c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl Show InChI InChI=1S/C26H31Cl2N3O5/c1-14-10-15(2)29-25(34)19(14)12-31-9-6-17-20(27)11-18(23(28)22(17)26(31)35)24(36-3)16-4-7-30(8-5-16)21(33)13-32/h10-11,16,24,32H,4-9,12-13H2,1-3H3,(H,29,34)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	749	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