BDBM50457726 CHEMBL4213346

SMILES: COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCC1CCN(C)CC1)-c1ccc(C)o1

InChI Key: InChIKey=HFXPDAPFWXGCAJ-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 = 50457726   

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))	BDBM50457726 (CHEMBL4213346) Show SMILES COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCC1CCN(C)CC1)-c1ccc(C)o1 Show InChI InChI=1S/C31H42N4O3/c1-21-5-6-28(38-21)27-16-25(32-23-18-31(19-23)9-13-35(3)14-10-31)24-15-29(36-4)30(17-26(24)33-27)37-20-22-7-11-34(2)12-8-22/h5-6,15-17,22-23H,7-14,18-20H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	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))	BDBM50457726 (CHEMBL4213346) Show SMILES COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCC1CCN(C)CC1)-c1ccc(C)o1 Show InChI InChI=1S/C31H42N4O3/c1-21-5-6-28(38-21)27-16-25(32-23-18-31(19-23)9-13-35(3)14-10-31)24-15-29(36-4)30(17-26(24)33-27)37-20-22-7-11-34(2)12-8-22/h5-6,15-17,22-23H,7-14,18-20H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.08E+3	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