BDBM50281294 CHEMBL4164446

SMILES: COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(o1)C#N

InChI Key: InChIKey=SLANLQDQDGKRRA-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 = 50281294   

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))	BDBM50281294 (CHEMBL4164446) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(o1)C#N Show InChI InChI=1S/C28H35N5O3/c1-32-13-8-20(9-14-32)30-23-17-25(26-7-6-21(19-29)36-26)31-24-18-28(27(34-2)16-22(23)24)35-15-5-12-33-10-3-4-11-33/h6-7,16-18,20H,3-5,8-15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	264	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias 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: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50281294 (CHEMBL4164446) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(o1)C#N Show InChI InChI=1S/C28H35N5O3/c1-32-13-8-20(9-14-32)30-23-17-25(26-7-6-21(19-29)36-26)31-24-18-28(27(34-2)16-22(23)24)35-15-5-12-33-10-3-4-11-33/h6-7,16-18,20H,3-5,8-15H2,1-2H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Oviedo-Principado de Asturias 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: 6518-6545 (2018) Article DOI: 10.1021/acs.jmedchem.7b01926 BindingDB Entry DOI: 10.7270/Q23X895V
					More data for this Ligand-Target Pair