Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457727'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM50457727 (CHEMBL4208812) Show SMILES COc1cc2c(NC3CCC33CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C31H42N4O3/c1-22-7-8-27(38-22)26-20-24(33-30-9-10-31(30)11-16-34(2)17-12-31)23-19-28(36-3)29(21-25(23)32-26)37-18-6-15-35-13-4-5-14-35/h7-8,19-21,30H,4-6,9-18H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	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
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50457727 (CHEMBL4208812) Show SMILES COc1cc2c(NC3CCC33CCN(C)CC3)cc(nc2cc1OCCCN1CCCC1)-c1ccc(C)o1 Show InChI InChI=1S/C31H42N4O3/c1-22-7-8-27(38-22)26-20-24(33-30-9-10-31(30)11-16-34(2)17-12-31)23-19-28(36-3)29(21-25(23)32-26)37-18-6-15-35-13-4-5-14-35/h7-8,19-21,30H,4-6,9-18H2,1-3H3,(H,32,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	123	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