BDBM50205629 CHEMBL3905192

SMILES: CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(CN2CCOCC2)cc1

InChI Key: InChIKey=RYSBINDHKQGGGN-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 = 50205629   

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))	BDBM50205629 (CHEMBL3905192) Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C32H40N4O3/c1-20(2)36-18-22(4)30-27(31(37)33-17-28-21(3)14-23(5)34-32(28)38)15-26(16-29(30)36)25-8-6-24(7-9-25)19-35-10-12-39-13-11-35/h6-9,14-16,20,22H,10-13,17-19H2,1-5H3,(H,33,37)(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	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))	BDBM50205629 (CHEMBL3905192) Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C32H40N4O3/c1-20(2)36-18-22(4)30-27(31(37)33-17-28-21(3)14-23(5)34-32(28)38)15-26(16-29(30)36)25-8-6-24(7-9-25)19-35-10-12-39-13-11-35/h6-9,14-16,20,22H,10-13,17-19H2,1-5H3,(H,33,37)(H,34,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.14E+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
Enhancer of zeste homolog 1 (EZH1) (Homo sapiens (Human))	BDBM50205629 (CHEMBL3905192) Show SMILES CC(C)N1CC(C)c2c1cc(cc2C(=O)NCc1c(C)cc(C)[nH]c1=O)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C32H40N4O3/c1-20(2)36-18-22(4)30-27(31(37)33-17-28-21(3)14-23(5)34-32(28)38)15-26(16-29(30)36)25-8-6-24(7-9-25)19-35-10-12-39-13-11-35/h6-9,14-16,20,22H,10-13,17-19H2,1-5H3,(H,33,37)(H,34,38)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.71E+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