BDBM50457741 CHEMBL4204903

SMILES: COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1

InChI Key: InChIKey=ALFOHAANLRVWSN-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 = 50457741   

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))	BDBM50457741 (CHEMBL4204903) Show SMILES COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1 Show InChI InChI=1S/C31H40N4O3/c1-20-5-6-27(37-20)26-12-24(32-21-14-30(15-21)7-9-34(2)10-8-30)23-11-28(36-4)29(13-25(23)33-26)38-22-16-31(17-22)18-35(3)19-31/h5-6,11-13,21-22H,7-10,14-19H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	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))	BDBM50457741 (CHEMBL4204903) Show SMILES COc1cc2c(NC3CC4(C3)CCN(C)CC4)cc(nc2cc1OC1CC2(C1)CN(C)C2)-c1ccc(C)o1 Show InChI InChI=1S/C31H40N4O3/c1-20-5-6-27(37-20)26-12-24(32-21-14-30(15-21)7-9-34(2)10-8-30)23-11-28(36-4)29(13-25(23)33-26)38-22-16-31(17-22)18-35(3)19-31/h5-6,11-13,21-22H,7-10,14-19H2,1-4H3,(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.45E+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 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