BDBM50457732 CHEMBL4205136

SMILES: CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCC4(CC4)C3)cc2n1

InChI Key: InChIKey=BBJDFTWFOONSLK-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 = 50457732   

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))	BDBM50457732 (CHEMBL4205136) Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCC4(CC4)C3)cc2n1 Show InChI InChI=1S/C31H42N4O3/c1-4-23-6-7-28(38-23)27-19-25(32-22-8-14-34(2)15-9-22)24-18-29(36-3)30(20-26(24)33-27)37-17-5-13-35-16-12-31(21-35)10-11-31/h6-7,18-20,22H,4-5,8-17,21H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	212	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))	BDBM50457732 (CHEMBL4205136) Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCC4(CC4)C3)cc2n1 Show InChI InChI=1S/C31H42N4O3/c1-4-23-6-7-28(38-23)27-19-25(32-22-8-14-34(2)15-9-22)24-18-29(36-3)30(20-26(24)33-27)37-17-5-13-35-16-12-31(21-35)10-11-31/h6-7,18-20,22H,4-5,8-17,21H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	599	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