Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 1 [621-1600]'   

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 [621-1600] (Homo sapiens (Human))	BDBM50384789 (CHEMBL2037378 | Laccaic acid A (LCA)) Show SMILES CC(=O)NCCc1ccc(O)c(c1)-c1c(O)c(O)c2C(=O)c3cc(O)c(C(O)=O)c(C(O)=O)c3C(=O)c2c1O |(18.51,2.43,;18.52,.89,;19.87,.13,;17.2,.1,;17.22,-1.44,;15.9,-2.22,;15.92,-3.76,;17.26,-4.52,;17.28,-6.06,;15.95,-6.84,;15.96,-8.38,;14.61,-6.08,;14.6,-4.54,;13.29,-6.86,;13.31,-8.42,;14.64,-9.18,;11.96,-9.2,;11.97,-10.74,;10.62,-8.43,;9.28,-9.21,;9.28,-10.75,;7.94,-8.44,;6.6,-9.21,;5.27,-8.44,;3.93,-9.21,;5.27,-6.89,;3.93,-6.12,;2.6,-6.89,;3.93,-4.59,;6.59,-6.12,;6.59,-4.59,;5.26,-3.82,;7.92,-3.81,;7.93,-6.89,;9.26,-6.1,;9.26,-4.56,;10.61,-6.88,;11.95,-6.09,;11.93,-4.56,)| Show InChI InChI=1S/C26H19NO12/c1-8(28)27-5-4-9-2-3-12(29)10(6-9)15-22(33)19-18(24(35)23(15)34)20(31)11-7-13(30)16(25(36)37)17(26(38)39)14(11)21(19)32/h2-3,6-7,29-30,33-35H,4-5H2,1H3,(H,27,28)(H,36,37)(H,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	7.5	n/a
University of Iowa					Assay Description Assays (0.1 ml) were conducted in 96-well black half-area plates in either a Wallac VICTOR2 or Biotek Synergy Neo plate reader at 37 °C in 10 mM Tri...				J Biol Chem 288: 23858-67 (2013) Article DOI: 10.1074/jbc.M113.480517 BindingDB Entry DOI: 10.7270/Q29885VG
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 [621-1600] (Homo sapiens (Human))	BDBM50430056 (CHEMBL2336409 | SGI-1027) Show SMILES Cc1cc(Nc2ccc(NC(=O)c3ccc(Nc4ccnc5ccccc45)cc3)cc2)nc(N)n1 Show InChI InChI=1S/C27H23N7O/c1-17-16-25(34-27(28)30-17)32-20-10-12-21(13-11-20)33-26(35)18-6-8-19(9-7-18)31-24-14-15-29-23-5-3-2-4-22(23)24/h2-16H,1H3,(H,29,31)(H,33,35)(H3,28,30,32,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	7.5	n/a
University of Iowa					Assay Description Assays (0.1 ml) were conducted in 96-well black half-area plates in either a Wallac VICTOR2 or Biotek Synergy Neo plate reader at 37 °C in 10 mM Tri...				J Biol Chem 288: 23858-67 (2013) Article DOI: 10.1074/jbc.M113.480517 BindingDB Entry DOI: 10.7270/Q29885VG
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 [621-1600] (Homo sapiens (Human))	BDBM50384789 (CHEMBL2037378 | Laccaic acid A (LCA)) Show SMILES CC(=O)NCCc1ccc(O)c(c1)-c1c(O)c(O)c2C(=O)c3cc(O)c(C(O)=O)c(C(O)=O)c3C(=O)c2c1O |(18.51,2.43,;18.52,.89,;19.87,.13,;17.2,.1,;17.22,-1.44,;15.9,-2.22,;15.92,-3.76,;17.26,-4.52,;17.28,-6.06,;15.95,-6.84,;15.96,-8.38,;14.61,-6.08,;14.6,-4.54,;13.29,-6.86,;13.31,-8.42,;14.64,-9.18,;11.96,-9.2,;11.97,-10.74,;10.62,-8.43,;9.28,-9.21,;9.28,-10.75,;7.94,-8.44,;6.6,-9.21,;5.27,-8.44,;3.93,-9.21,;5.27,-6.89,;3.93,-6.12,;2.6,-6.89,;3.93,-4.59,;6.59,-6.12,;6.59,-4.59,;5.26,-3.82,;7.92,-3.81,;7.93,-6.89,;9.26,-6.1,;9.26,-4.56,;10.61,-6.88,;11.95,-6.09,;11.93,-4.56,)| Show InChI InChI=1S/C26H19NO12/c1-8(28)27-5-4-9-2-3-12(29)10(6-9)15-22(33)19-18(24(35)23(15)34)20(31)11-7-13(30)16(25(36)37)17(26(38)39)14(11)21(19)32/h2-3,6-7,29-30,33-35H,4-5H2,1H3,(H,27,28)(H,36,37)(H,38,39)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.78E+4	n/a	n/a	n/a	n/a	7.5	n/a
University of Iowa					Assay Description Assays (0.1 ml) were conducted in 96-well black half-area plates in either a Wallac VICTOR2 or Biotek Synergy Neo plate reader at 37 °C in 10 mM Tri...				J Biol Chem 288: 23858-67 (2013) Article DOI: 10.1074/jbc.M113.480517 BindingDB Entry DOI: 10.7270/Q29885VG
					More data for this Ligand-Target Pair