Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 3A' AND taxid = 10090   

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 3A (Mus musculus)	BDBM22984 ((8S,10S)-10-{[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-me...) Show SMILES COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r| Show InChI InChI=1S/C27H29NO11/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3/t10-,13-,15-,17-,22+,27-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (17 AT bp) as substrate preincubated for...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127296 BindingDB Entry DOI: 10.7270/Q2BR8WQH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (22 AT bp) as substrate preincubated for...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127296 BindingDB Entry DOI: 10.7270/Q2BR8WQH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Inhibition of murine DNMT3A catalytic domain-mediated DNA methylation using 5'-6FAM-tagged 30-mer duplex DNA (17 AT bp) as substrate preincubated for...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127296 BindingDB Entry DOI: 10.7270/Q2BR8WQH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 5 uM using 30-mer duplex DNA (22 AT bp) as substrate p...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127296 BindingDB Entry DOI: 10.7270/Q2BR8WQH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 15 uM using 30-mer duplex DNA (22 AT bp) as substrate ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127296 BindingDB Entry DOI: 10.7270/Q2BR8WQH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 30 uM using 30-mer duplex DNA (17 AT bp) as substrate ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127296 BindingDB Entry DOI: 10.7270/Q2BR8WQH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 30 uM using 30-mer duplex DNA (22 AT bp) as substrate ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127296 BindingDB Entry DOI: 10.7270/Q2BR8WQH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 5 uM using 30-mer duplex DNA (17 AT bp) as substrate p...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127296 BindingDB Entry DOI: 10.7270/Q2BR8WQH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Mus musculus)	BDBM50544058 (CHEMBL4640631) Show SMILES CC(C)NCCn1c2ccc(cc2c2cc(ccc12)C(C)=O)C(C)=O Show InChI InChI=1S/C21H24N2O2/c1-13(2)22-9-10-23-20-7-5-16(14(3)24)11-18(20)19-12-17(15(4)25)6-8-21(19)23/h5-8,11-13,22H,9-10H2,1-4H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a
M. V. Lomonosov Moscow State University Curated by ChEMBL					Assay Description Binding affinity to murine DNMT3A catalytic domain assessed as enzyme-DNA complex formation at 15 uM using 30-mer duplex DNA (17 AT bp) as substrate ...				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127296 BindingDB Entry DOI: 10.7270/Q2BR8WQH
					More data for this Ligand-Target Pair