BDBM50457722 CHEMBL4215326

SMILES: COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1

InChI Key: InChIKey=IQRVFHPCSDGBCR-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 = 50457722   

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))	BDBM50457722 (CHEMBL4215326) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1 Show InChI InChI=1S/C28H36N4O3/c1-18-5-6-25(34-18)24-12-22(29-19-7-9-31(2)10-8-19)21-11-26(33-4)27(13-23(21)30-24)35-20-14-28(15-20)16-32(3)17-28/h5-6,11-13,19-20H,7-10,14-17H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	21	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)	BDBM50457722 (CHEMBL4215326) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1 Show InChI InChI=1S/C28H36N4O3/c1-18-5-6-25(34-18)24-12-22(29-19-7-9-31(2)10-8-19)21-11-26(33-4)27(13-23(21)30-24)35-20-14-28(15-20)16-32(3)17-28/h5-6,11-13,19-20H,7-10,14-17H2,1-4H3,(H,29,30)	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
Histone-lysine N-methyltransferase EHMT1 (Homo sapiens (Human))	BDBM50457722 (CHEMBL4215326) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1 Show InChI InChI=1S/C28H36N4O3/c1-18-5-6-25(34-18)24-12-22(29-19-7-9-31(2)10-8-19)21-11-26(33-4)27(13-23(21)30-24)35-20-14-28(15-20)16-32(3)17-28/h5-6,11-13,19-20H,7-10,14-17H2,1-4H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
WuXi Apptec (Tianjin) Co. Ltd. Curated by ChEMBL					Assay Description Inhibition of GLP (unknown origin)				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))	BDBM50457722 (CHEMBL4215326) Show SMILES COc1cc2c(NC3CCN(C)CC3)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1 Show InChI InChI=1S/C28H36N4O3/c1-18-5-6-25(34-18)24-12-22(29-19-7-9-31(2)10-8-19)21-11-26(33-4)27(13-23(21)30-24)35-20-14-28(15-20)16-32(3)17-28/h5-6,11-13,19-20H,7-10,14-17H2,1-4H3,(H,29,30)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	351	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