BDBM50281304 CHEMBL4160008

SMILES: CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1

InChI Key: InChIKey=WXSNAPMHXWGVRQ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50281304   

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))	BDBM50281304 (CHEMBL4160008) Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C29H40N4O3/c1-4-22-8-9-27(36-22)26-19-24(30-21-10-15-32(2)16-11-21)23-18-28(34-3)29(20-25(23)31-26)35-17-7-14-33-12-5-6-13-33/h8-9,18-21H,4-7,10-17H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	234	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
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50281304 (CHEMBL4160008) Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C29H40N4O3/c1-4-22-8-9-27(36-22)26-19-24(30-21-10-15-32(2)16-11-21)23-18-28(34-3)29(20-25(23)31-26)35-17-7-14-33-12-5-6-13-33/h8-9,18-21H,4-7,10-17H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	234	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))	BDBM50281304 (CHEMBL4160008) Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C29H40N4O3/c1-4-22-8-9-27(36-22)26-19-24(30-21-10-15-32(2)16-11-21)23-18-28(34-3)29(20-25(23)31-26)35-17-7-14-33-12-5-6-13-33/h8-9,18-21H,4-7,10-17H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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
Protein G9a (G9a) (Homo sapiens (Human))	BDBM50281304 (CHEMBL4160008) Show SMILES CCc1ccc(o1)-c1cc(NC2CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C29H40N4O3/c1-4-22-8-9-27(36-22)26-19-24(30-21-10-15-32(2)16-11-21)23-18-28(34-3)29(20-25(23)31-26)35-17-7-14-33-12-5-6-13-33/h8-9,18-21H,4-7,10-17H2,1-3H3,(H,30,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	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