BDBM50457730 CHEMBL4207331

SMILES: COc1cc2c(NC3C4CCC3CN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1

InChI Key: InChIKey=KXENQCUVSMIIGA-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 = 50457730   

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))	BDBM50457730 (CHEMBL4207331) Show SMILES COc1cc2c(NC3C4CCC3CN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C30H40N4O3/c1-20-7-10-27(37-20)26-16-24(32-30-21-8-9-22(30)19-33(2)18-21)23-15-28(35-3)29(17-25(23)31-26)36-14-6-13-34-11-4-5-12-34/h7,10,15-17,21-22,30H,4-6,8-9,11-14,18-19H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	41	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))	BDBM50457730 (CHEMBL4207331) Show SMILES COc1cc2c(NC3C4CCC3CN(C)C4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C30H40N4O3/c1-20-7-10-27(37-20)26-16-24(32-30-21-8-9-22(30)19-33(2)18-21)23-15-28(35-3)29(17-25(23)31-26)36-14-6-13-34-11-4-5-12-34/h7,10,15-17,21-22,30H,4-6,8-9,11-14,18-19H2,1-3H3,(H,31,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	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