BDBM50536589 CHEMBL4545986

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

InChI Key: InChIKey=MBHAGIYXHLXHOJ-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 = 50536589   

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))	BDBM50536589 (CHEMBL4545986) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(CC)CC)-c1ccc(nc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C35H47N7O2/c1-7-10-25-17-24(6)39-35(44)30(25)21-37-34(43)29-18-27(19-32-31(29)22-38-42(32)28(8-2)9-3)26-11-12-33(36-20-26)41-15-13-40(14-16-41)23(4)5/h11-12,17-20,22-23,28H,7-10,13-16,21H2,1-6H3,(H,37,43)(H,39,44)	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
Enhancer of zeste homolog 1 (EZH1) (Homo sapiens (Human))	BDBM50536589 (CHEMBL4545986) Show SMILES CCCc1cc(C)[nH]c(=O)c1CNC(=O)c1cc(cc2n(ncc12)C(CC)CC)-c1ccc(nc1)N1CCN(CC1)C(C)C Show InChI InChI=1S/C35H47N7O2/c1-7-10-25-17-24(6)39-35(44)30(25)21-37-34(43)29-18-27(19-32-31(29)22-38-42(32)28(8-2)9-3)26-11-12-33(36-20-26)41-15-13-40(14-16-41)23(4)5/h11-12,17-20,22-23,28H,7-10,13-16,21H2,1-6H3,(H,37,43)(H,39,44)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	126	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