BDBM50457753 CHEMBL4215862

SMILES: COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C2)C(C)C)-c1ccc(C)o1

InChI Key: InChIKey=SJSJYFGBZRKJLV-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 = 50457753   

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
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50457753 (CHEMBL4215862) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C2)C(C)C)-c1ccc(C)o1 Show InChI InChI=1S/C30H40N4O3/c1-19(2)34-17-30(18-34)15-22(16-30)37-29-14-25-23(12-28(29)35-5)24(31-21-8-10-33(4)11-9-21)13-26(32-25)27-7-6-20(3)36-27/h6-7,12-14,19,21-22H,8-11,15-18H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	378	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
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50457753 (CHEMBL4215862) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C2)C(C)C)-c1ccc(C)o1 Show InChI InChI=1S/C30H40N4O3/c1-19(2)34-17-30(18-34)15-22(16-30)37-29-14-25-23(12-28(29)35-5)24(31-21-8-10-33(4)11-9-21)13-26(32-25)27-7-6-20(3)36-27/h6-7,12-14,19,21-22H,8-11,15-18H2,1-5H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	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