BDBM50353127 CHEMBL1829301

SMILES: COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCCCC1

InChI Key: InChIKey=VJMBYBQPXIEJEM-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 = 50353127   

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 EHMT2 (Homo sapiens (Human))	BDBM50353127 (CHEMBL1829301) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCCCC1 Show InChI InChI=1S/C30H48N6O2/c1-23(2)35-18-11-24(12-19-35)31-29-25-21-27(37-3)28(38-20-10-15-34-13-8-9-14-34)22-26(25)32-30(33-29)36-16-6-4-5-7-17-36/h21-24H,4-20H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 after 48 hrs by In-Cell Western assay				J Med Chem 54: 6139-50 (2011) Article DOI: 10.1021/jm200903z BindingDB Entry DOI: 10.7270/Q237793P
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50353127 (CHEMBL1829301) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCCCC1 Show InChI InChI=1S/C30H48N6O2/c1-23(2)35-18-11-24(12-19-35)31-29-25-21-27(37-3)28(38-20-10-15-34-13-8-9-14-34)22-26(25)32-30(33-29)36-16-6-4-5-7-17-36/h21-24H,4-20H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of lysine methyltransferase G9a in human MDA-MB-231 cells assessed as reduction of H3K9me2 cellular level by immunofluorescence in-cell We...				J Med Chem 56: 8931-42 (2013) Article DOI: 10.1021/jm401480r BindingDB Entry DOI: 10.7270/Q2NZ892T
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50353127 (CHEMBL1829301) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1OCCCN1CCCC1)N1CCCCCC1 Show InChI InChI=1S/C30H48N6O2/c1-23(2)35-18-11-24(12-19-35)31-29-25-21-27(37-3)28(38-20-10-15-34-13-8-9-14-34)22-26(25)32-30(33-29)36-16-6-4-5-7-17-36/h21-24H,4-20H2,1-3H3,(H,31,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
University of North Carolina at Chapel Hill Curated by ChEMBL					Assay Description Inhibition of G9a assessed as hydrolysis of S-adenosyl-L-homocysteine after 2 mins by SAHH-coupled fluorescence assay				J Med Chem 54: 6139-50 (2011) Article DOI: 10.1021/jm200903z BindingDB Entry DOI: 10.7270/Q237793P
					More data for this Ligand-Target Pair