BDBM50205639 CHEMBL3892623

SMILES: CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=AGFJSOIBLBIMSF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50205639   

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
Enhancer of zeste homolog 1 (EZH1) (Homo sapiens (Human))	BDBM50205639 (CHEMBL3892623) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C34H42N4O4/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(26-6-4-25(5-7-26)21-37-10-14-42-15-11-37)18-31-32(29)23(2)20-38(31)28-8-12-41-13-9-28/h4-7,16-18,23,28H,8-15,19-21H2,1-3H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human EZH1 complex using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50205639 (CHEMBL3892623) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C34H42N4O4/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(26-6-4-25(5-7-26)21-37-10-14-42-15-11-37)18-31-32(29)23(2)20-38(31)28-8-12-41-13-9-28/h4-7,16-18,23,28H,8-15,19-21H2,1-3H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50205639 (CHEMBL3892623) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C34H42N4O4/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(26-6-4-25(5-7-26)21-37-10-14-42-15-11-37)18-31-32(29)23(2)20-38(31)28-8-12-41-13-9-28/h4-7,16-18,23,28H,8-15,19-21H2,1-3H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Integral BioSciences Pvt. Ltd. Curated by ChEMBL					Assay Description Inhibition of human wild type EZH2 using histone H3 as substrate after 1 hr in presence of 3H-SAM by filter paper detection analysis				Bioorg Med Chem Lett 27: 217-222 (2017) Article DOI: 10.1016/j.bmcl.2016.11.080 BindingDB Entry DOI: 10.7270/Q2S46TZW
					More data for this Ligand-Target Pair