BDBM50457757 CHEMBL4212375

SMILES: CNC(=O)CCNc1cc(nc2cc(OCCCN3CCCC3)c(OC)cc12)-c1ccc(C)o1

InChI Key: InChIKey=BAJGTIKDJKXLMX-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 = 50457757   

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))	BDBM50457757 (CHEMBL4212375) Show SMILES CNC(=O)CCNc1cc(nc2cc(OCCCN3CCCC3)c(OC)cc12)-c1ccc(C)o1 Show InChI InChI=1S/C26H34N4O4/c1-18-7-8-23(34-18)22-16-20(28-10-9-26(31)27-2)19-15-24(32-3)25(17-21(19)29-22)33-14-6-13-30-11-4-5-12-30/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.08E+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 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))	BDBM50457757 (CHEMBL4212375) Show SMILES CNC(=O)CCNc1cc(nc2cc(OCCCN3CCCC3)c(OC)cc12)-c1ccc(C)o1 Show InChI InChI=1S/C26H34N4O4/c1-18-7-8-23(34-18)22-16-20(28-10-9-26(31)27-2)19-15-24(32-3)25(17-21(19)29-22)33-14-6-13-30-11-4-5-12-30/h7-8,15-17H,4-6,9-14H2,1-3H3,(H,27,31)(H,28,29)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	105	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