Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1' and Ligand = 'BDBM50457716'   

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))	BDBM50457716 (CHEMBL4203933) Show SMILES CCc1ccc(o1)-c1cc(NC2CCC22CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C32H44N4O3/c1-4-23-8-9-28(39-23)27-21-25(34-31-10-11-32(31)12-17-35(2)18-13-32)24-20-29(37-3)30(22-26(24)33-27)38-19-7-16-36-14-5-6-15-36/h8-9,20-22,31H,4-7,10-19H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	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))	BDBM50457716 (CHEMBL4203933) Show SMILES CCc1ccc(o1)-c1cc(NC2CCC22CCN(C)CC2)c2cc(OC)c(OCCCN3CCCC3)cc2n1 Show InChI InChI=1S/C32H44N4O3/c1-4-23-8-9-28(39-23)27-21-25(34-31-10-11-32(31)12-17-35(2)18-13-32)24-20-29(37-3)30(22-26(24)33-27)38-19-7-16-36-14-5-6-15-36/h8-9,20-22,31H,4-7,10-19H2,1-3H3,(H,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	220	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