BDBM50457718 CHEMBL4206035

SMILES: COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1

InChI Key: InChIKey=UDDYBHJZHUMVFR-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 = 50457718   

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))	BDBM50457718 (CHEMBL4206035) Show SMILES COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C31H42N4O3/c1-22-7-8-28(38-22)27-18-25(32-23-20-31(21-23)9-14-34(2)15-10-31)24-17-29(36-3)30(19-26(24)33-27)37-16-6-13-35-11-4-5-12-35/h7-8,17-19,23H,4-6,9-16,20-21H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	140	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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50457718 (CHEMBL4206035) Show SMILES COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C31H42N4O3/c1-22-7-8-28(38-22)27-18-25(32-23-20-31(21-23)9-14-34(2)15-10-31)24-17-29(36-3)30(19-26(24)33-27)37-16-6-13-35-11-4-5-12-35/h7-8,17-19,23H,4-6,9-16,20-21H2,1-3H3,(H,32,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of Tracer Red binding to human ERG in membranes after 2 hrs by fluorescence polarization 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
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae)	BDBM50457718 (CHEMBL4206035) Show SMILES COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C31H42N4O3/c1-22-7-8-28(38-22)27-18-25(32-23-20-31(21-23)9-14-34(2)15-10-31)24-17-29(36-3)30(19-26(24)33-27)37-16-6-13-35-11-4-5-12-35/h7-8,17-19,23H,4-6,9-16,20-21H2,1-3H3,(H,32,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of Tracer Red binding to human ERG in membranes after 2 hrs by fluorescence polarization 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))	BDBM50457718 (CHEMBL4206035) Show SMILES COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C31H42N4O3/c1-22-7-8-28(38-22)27-18-25(32-23-20-31(21-23)9-14-34(2)15-10-31)24-17-29(36-3)30(19-26(24)33-27)37-16-6-13-35-11-4-5-12-35/h7-8,17-19,23H,4-6,9-16,20-21H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	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