BDBM50512663 CHEMBL4564339

SMILES: CC(C)N1CCC(CC1)Nc1nc(nc2cc(N3CCN(C)CC3)c(F)cc12)C1CCCCC1

InChI Key: InChIKey=LKNCEFIPICJUQM-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 = 50512663   

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))	BDBM50512663 (CHEMBL4564339) Show SMILES CC(C)N1CCC(CC1)Nc1nc(nc2cc(N3CCN(C)CC3)c(F)cc12)C1CCCCC1 Show InChI InChI=1S/C27H41FN6/c1-19(2)33-11-9-21(10-12-33)29-27-22-17-23(28)25(34-15-13-32(3)14-16-34)18-24(22)30-26(31-27)20-7-5-4-6-8-20/h17-21H,4-16H2,1-3H3,(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	94	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))	BDBM50512663 (CHEMBL4564339) Show SMILES CC(C)N1CCC(CC1)Nc1nc(nc2cc(N3CCN(C)CC3)c(F)cc12)C1CCCCC1 Show InChI InChI=1S/C27H41FN6/c1-19(2)33-11-9-21(10-12-33)29-27-22-17-23(28)25(34-15-13-32(3)14-16-34)18-24(22)30-26(31-27)20-7-5-4-6-8-20/h17-21H,4-16H2,1-3H3,(H,29,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.54E+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