BDBM50512627 CHEMBL4570643

SMILES: CNCC#Cc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1

InChI Key: InChIKey=JIPXEHIHQRXFCZ-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 = 50512627   

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))	BDBM50512627 (CHEMBL4570643) Show SMILES CNCC#Cc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C25H37N7O/c1-26-10-5-7-19-17-22-21(18-23(19)33-4)24(27-20-8-13-31(3)14-9-20)29-25(28-22)32-12-6-11-30(2)15-16-32/h17-18,20,26H,6,8-16H2,1-4H3,(H,27,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	359	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
Histone-lysine N-methyltransferase EHMT1/EHMT2 (Homo sapiens (Human))	BDBM50512627 (CHEMBL4570643) Show SMILES CNCC#Cc1cc2nc(nc(NC3CCN(C)CC3)c2cc1OC)N1CCCN(C)CC1 Show InChI InChI=1S/C25H37N7O/c1-26-10-5-7-19-17-22-21(18-23(19)33-4)24(27-20-8-13-31(3)14-9-20)29-25(28-22)32-12-6-11-30(2)15-16-32/h17-18,20,26H,6,8-16H2,1-4H3,(H,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	152	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