BDBM50512632 CHEMBL4460246

SMILES: COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1N1CCN(C)CC1)C1CCCCC1

InChI Key: InChIKey=YIPSBLPVYIUMCM-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 = 50512632   

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 EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50512632 (CHEMBL4460246) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1N1CCN(C)CC1)C1CCCCC1 Show InChI InChI=1S/C28H44N6O/c1-20(2)33-12-10-22(11-13-33)29-28-23-18-26(35-4)25(34-16-14-32(3)15-17-34)19-24(23)30-27(31-28)21-8-6-5-7-9-21/h18-22H,5-17H2,1-4H3,(H,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem BV Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT1 (794 to 1294 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...				Bioorg Med Chem Lett 29: 2516-2524 (2019) Article DOI: 10.1016/j.bmcl.2019.06.012
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50512632 (CHEMBL4460246) Show SMILES COc1cc2c(NC3CCN(CC3)C(C)C)nc(nc2cc1N1CCN(C)CC1)C1CCCCC1 Show InChI InChI=1S/C28H44N6O/c1-20(2)33-12-10-22(11-13-33)29-28-23-18-26(35-4)25(34-16-14-32(3)15-17-34)19-24(23)30-27(31-28)21-8-6-5-7-9-21/h18-22H,5-17H2,1-4H3,(H,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Mercachem BV Curated by ChEMBL					Assay Description Inhibition of N-terminal GST tagged human recombinant EHMT2 (785 to 1210 residues) expressed in baculovirus infected Sf9 insect cells assessed as red...				Bioorg Med Chem Lett 29: 2516-2524 (2019) Article DOI: 10.1016/j.bmcl.2019.06.012
					More data for this Ligand-Target Pair