BDBM50457721 CHEMBL4208010

SMILES: COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCC1CCNCC1)-c1ccc(C)o1

InChI Key: InChIKey=RUPLHSKMNNTYKA-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 = 50457721   

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
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50457721 (CHEMBL4208010) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCC1CCNCC1)-c1ccc(C)o1 Show InChI InChI=1S/C27H36N4O3/c1-18-4-5-25(34-18)24-15-22(29-20-8-12-31(2)13-9-20)21-14-26(32-3)27(16-23(21)30-24)33-17-19-6-10-28-11-7-19/h4-5,14-16,19-20,28H,6-13,17H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human DNMT1 using polydeoxyinosine polydeoxycytosine DNA as substrate after 15 mins in presence of SAM by TR-FRET assay				J Med Chem 61: 6546-6573 (2018) Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM
					More data for this Ligand-Target Pair
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50457721 (CHEMBL4208010) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCC1CCNCC1)-c1ccc(C)o1 Show InChI InChI=1S/C27H36N4O3/c1-18-4-5-25(34-18)24-15-22(29-20-8-12-31(2)13-9-20)21-14-26(32-3)27(16-23(21)30-24)33-17-19-6-10-28-11-7-19/h4-5,14-16,19-20,28H,6-13,17H2,1-3H3,(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	838	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of human G9a using biotinylated-H3K9 peptide as substrate after 1 hr in presence of SAM by TR-FRET assay				J Med Chem 61: 6546-6573 (2018) Article DOI: 10.1021/acs.jmedchem.7b01925 BindingDB Entry DOI: 10.7270/Q2BP05CM
					More data for this Ligand-Target Pair