BDBM50536579 CHEMBL4557033

SMILES: CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC)CC1

InChI Key: InChIKey=HENBTKZOVQDYEY-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50536579   

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))	BDBM50536579 (CHEMBL4557033) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC)CC1 Show InChI InChI=1S/C32H41N7O2/c1-6-8-23-15-22(5)36-32(41)27(23)19-34-31(40)26-16-25(17-29-28(26)20-35-39(29)21(3)4)24-9-10-30(33-18-24)38-13-11-37(7-2)12-14-38/h9-10,15-18,20-21H,6-8,11-14,19H2,1-5H3,(H,34,40)(H,36,41)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of EZH1 histone methyltransferase activity of EZH1/EED/SUZ12/RBBP4/AEBP2 protein complex (unknown origin) using histone H3 peptide as subs...				J Med Chem 59: 7617-33 (2016) Article DOI: 10.1021/acs.jmedchem.6b00855
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50536579 (CHEMBL4557033) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(C)C)-c1ccc(nc1)N1CCN(CC)CC1 Show InChI InChI=1S/C32H41N7O2/c1-6-8-23-15-22(5)36-32(41)27(23)19-34-31(40)26-16-25(17-29-28(26)20-35-39(29)21(3)4)24-9-10-30(33-18-24)38-13-11-37(7-2)12-14-38/h9-10,15-18,20-21H,6-8,11-14,19H2,1-5H3,(H,34,40)(H,36,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
Icahn School of Medicine at Mount Sinai Curated by ChEMBL					Assay Description Inhibition of EZH2 histone methyltransferase activity of EZH2/EED/SUZ12 protein complex (unknown origin) using histone H3 peptide as substrate (21 to...				J Med Chem 59: 7617-33 (2016) Article DOI: 10.1021/acs.jmedchem.6b00855
					More data for this Ligand-Target Pair