BDBM50205626 CHEMBL3900506

SMILES: CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1

InChI Key: InChIKey=IGEIYKAMTWPMSB-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 = 50205626   

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))	BDBM50205626 (CHEMBL3900506) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H40N6O3/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-4-5-29(34-17-23)37-10-8-33-9-11-37)16-28-30(26)21(2)19-38(28)25-6-12-41-13-7-25/h4-5,14-17,21,25,33H,6-13,18-19H2,1-3H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	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
Enhancer of zeste homolog 1 (EZH1) (Homo sapiens (Human))	BDBM50205626 (CHEMBL3900506) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H40N6O3/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-4-5-29(34-17-23)37-10-8-33-9-11-37)16-28-30(26)21(2)19-38(28)25-6-12-41-13-7-25/h4-5,14-17,21,25,33H,6-13,18-19H2,1-3H3,(H,35,39)(H,36,40)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+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 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))	BDBM50205626 (CHEMBL3900506) Show SMILES CC1CN(C2CCOCC2)c2cc(cc(C(=O)NCc3c(C)cc(C)[nH]c3=O)c12)-c1ccc(nc1)N1CCNCC1 Show InChI InChI=1S/C32H40N6O3/c1-20-14-22(3)36-32(40)27(20)18-35-31(39)26-15-24(23-4-5-29(34-17-23)37-10-8-33-9-11-37)16-28-30(26)21(2)19-38(28)25-6-12-41-13-7-25/h4-5,14-17,21,25,33H,6-13,18-19H2,1-3H3,(H,35,39)(H,36,40)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.15E+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