Compile Data Set for Download or QSAR

Found 5 hits Enz. Inhib. hit(s) with all data for entry = 50031208   

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 3B (Homo sapiens (Human))	BDBM50009672 (AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Deutsches Krebsforschungszentrum Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus-insect cell system by scintillation counting				Bioorg Med Chem 18: 822-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.050 BindingDB Entry DOI: 10.7270/Q2CF9Q69
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50009672 (AdoHcy | CHEMBL418052 | S-(5'-adenosyl)-L-homocyst...) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O Show InChI InChI=1S/C14H20N6O5S/c15-6(14(23)24)1-2-26-3-7-9(21)10(22)13(25-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Deutsches Krebsforschungszentrum Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation counting				Bioorg Med Chem 18: 822-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.050 BindingDB Entry DOI: 10.7270/Q2CF9Q69
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM11979 (5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...) Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Deutsches Krebsforschungszentrum Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus-insect cell system by scintillation counting				Bioorg Med Chem 18: 822-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.050 BindingDB Entry DOI: 10.7270/Q2CF9Q69
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM11979 (5-[(3-carboxy-4-hydroxyphenyl)methyl]-2-hydroxyben...) Show SMILES OC(=O)c1cc(Cc2ccc(O)c(c2)C(O)=O)ccc1O Show InChI InChI=1S/C15H12O6/c16-12-3-1-8(6-10(12)14(18)19)5-9-2-4-13(17)11(7-9)15(20)21/h1-4,6-7,16-17H,5H2,(H,18,19)(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Deutsches Krebsforschungszentrum Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation counting				Bioorg Med Chem 18: 822-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.050 BindingDB Entry DOI: 10.7270/Q2CF9Q69
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50308983 (2-(4-bromo-2-(4-(carboxymethoxy)benzoyl)phenoxy)ac...) Show SMILES OC(=O)COc1ccc(cc1)C(=O)c1cc(Br)ccc1OCC(O)=O Show InChI InChI=1S/C17H13BrO7/c18-11-3-6-14(25-9-16(21)22)13(7-11)17(23)10-1-4-12(5-2-10)24-8-15(19)20/h1-7H,8-9H2,(H,19,20)(H,21,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.12E+5	n/a	n/a	n/a	n/a	n/a	n/a
Deutsches Krebsforschungszentrum Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT1 expressed in baculovirus-insect cell system by scintillation counting				Bioorg Med Chem 18: 822-9 (2010) Article DOI: 10.1016/j.bmc.2009.11.050 BindingDB Entry DOI: 10.7270/Q2CF9Q69
					More data for this Ligand-Target Pair