Compile Data Set for Download or QSAR

Found 80 hits Enz. Inhib. hit(s) with Target = 'DNA (cytosine-5)-methyltransferase 3B'   

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	200	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair				3D Structure (crystal)
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 3B (Homo sapiens (Human))	BDBM50294576 ((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)e...) Show SMILES O[C@@H]1[C@@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C29H32N6O5S/c36-24-22(14-41-20-12-21(29(38)39)31-13-20)40-28(25(24)37)35-16-34-23-26(32-15-33-27(23)35)30-11-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,15-16,20-22,24-25,28,31,36-37H,10-14H2,(H,38,39)(H,30,32,33)/t20-,21-,22+,24+,25+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
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	300	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair				3D Structure (crystal)
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294557 ((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H20N6O5S/c16-12-9-13(19-4-18-12)21(5-20-9)14-11(23)10(22)8(26-14)3-27-6-1-7(15(24)25)17-2-6/h4-8,10-11,14,17,22-23H,1-3H2,(H,24,25)(H2,16,18,19)/t6-,7-,8+,10+,11+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294482 (CHEMBL552309 | S-tubercidinylhomocysteine) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1ccc2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C15H21N5O5S/c16-8(15(23)24)2-4-26-5-9-10(21)11(22)14(25-9)20-3-1-7-12(17)18-6-19-13(7)20/h1,3,6,8-11,14,21-22H,2,4-5,16H2,(H,23,24)(H2,17,18,19)/t8-,9+,10+,11+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50075103 (CHEBI:48202 | Nanafrocin) Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human DNMT3B using [3H]-SAM				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50075103 (CHEBI:48202 | Nanafrocin) Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant DNMT3b expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...				J Med Chem 58: 2569-83 (2015) Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294495 ((2-amino-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C28H32N6O5S/c29-20(28(37)38)11-13-40-14-21-23(35)24(36)27(39-21)34-16-33-22-25(31-15-32-26(22)34)30-12-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,15-16,20-21,23-24,27,35-36H,10-14,29H2,(H,37,38)(H,30,31,32)/t20?,21-,23-,24-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294494 (2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(3-ph...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCc3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C23H30N6O5S/c24-15(23(32)33)8-10-35-11-16-18(30)19(31)22(34-16)29-13-28-17-20(26-12-27-21(17)29)25-9-4-7-14-5-2-1-3-6-14/h1-3,5-6,12-13,15-16,18-19,22,30-31H,4,7-11,24H2,(H,32,33)(H,25,26,27)/t15?,16-,18-,19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294495 ((2-amino-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C28H32N6O5S/c29-20(28(37)38)11-13-40-14-21-23(35)24(36)27(39-21)34-16-33-22-25(31-15-32-26(22)34)30-12-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18/h1-9,15-16,20-21,23-24,27,35-36H,10-14,29H2,(H,37,38)(H,30,31,32)/t20?,21-,23-,24-,27-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 at 45 uM				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50075103 (CHEBI:48202 | Nanafrocin) Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells by DRONE assay				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50389497 (CHEMBL1564869) Show SMILES OC(=O)[C@H](Cc1c[nH]c2ccccc12)N1C(=O)c2ccccc2C1=O Show InChI InChI=1S/C19H14N2O4/c22-17-13-6-1-2-7-14(13)18(23)21(17)16(19(24)25)9-11-10-20-15-8-4-3-5-12(11)15/h1-8,10,16,20H,9H2,(H,24,25)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294497 (4-(((2S,3S,4R,5R)-5-(6-(3,5-dimethoxybenzylamino)-...) Show SMILES COc1cc(CNc2ncnc3n(cnc23)[C@@H]2O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]2O)cc(OC)c1 |r| Show InChI InChI=1S/C23H30N6O7S/c1-34-13-5-12(6-14(7-13)35-2)8-25-20-17-21(27-10-26-20)29(11-28-17)22-19(31)18(30)16(36-22)9-37-4-3-15(24)23(32)33/h5-7,10-11,15-16,18-19,22,30-31H,3-4,8-9,24H2,1-2H3,(H,32,33)(H,25,26,27)/t15?,16-,18-,19-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294577 ((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-(2-(biphenyl-4-yl)e...) Show SMILES O[C@@H]1[C@@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12 |r| Show InChI InChI=1S/C29H31ClN6O5S/c30-29-34-25(31-11-10-16-6-8-18(9-7-16)17-4-2-1-3-5-17)22-26(35-29)36(15-33-22)27-24(38)23(37)21(41-27)14-42-19-12-20(28(39)40)32-13-19/h1-9,15,19-21,23-24,27,32,37-38H,10-14H2,(H,39,40)(H,31,34,35)/t19-,20-,21+,23+,24+,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	920	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294488 (2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-2-methyl-9H-p...) Show SMILES Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H22N6O5S/c1-6-19-12(17)9-13(20-6)21(5-18-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5,7-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,19,20)/t7?,8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294492 (2-amino-4-(((2S,3S,4R,5R)-5-(6-(benzylamino)-9H-pu...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C21H26N6O5S/c22-13(21(30)31)6-7-33-9-14-16(28)17(29)20(32-14)27-11-26-15-18(24-10-25-19(15)27)23-8-12-4-2-1-3-5-12/h1-5,10-11,13-14,16-17,20,28-29H,6-9,22H2,(H,30,31)(H,23,24,25)/t13?,14-,16-,17-,20-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294559 ((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22N6O5S/c17-13-10-14(20-5-19-13)22(6-21-10)15-12(24)11(23)9(27-15)4-28-7-1-2-18-8(3-7)16(25)26/h5-9,11-12,15,18,23-24H,1-4H2,(H,25,26)(H2,17,19,20)/t7-,8-,9+,11+,12+,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50075103 (CHEBI:48202 | Nanafrocin) Show SMILES C[C@@H]1O[C@@H](CC(O)=O)CC2=C1C(=O)c1c(O)cccc1C2=O |c:9| Show InChI InChI=1S/C16H14O6/c1-7-13-10(5-8(22-7)6-12(18)19)15(20)9-3-2-4-11(17)14(9)16(13)21/h2-4,7-8,17H,5-6H2,1H3,(H,18,19)/t7-,8+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294574 ((2S,4S)-4-(((2S,3S,4R,5S)-5-(6-amino-2-chloro-9H-p...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H19ClN6O5S/c16-15-20-11(17)8-12(21-15)22(4-19-8)13-10(24)9(23)7(27-13)3-28-5-1-6(14(25)26)18-2-5/h4-7,9-10,13,18,23-24H,1-3H2,(H,25,26)(H2,17,20,21)/t5-,6-,7+,9+,10+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294491 (2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phen...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C20H24N6O5S/c21-12(20(29)30)6-7-32-8-13-15(27)16(28)19(31-13)26-10-24-14-17(22-9-23-18(14)26)25-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19,27-28H,6-8,21H2,(H,29,30)(H,22,23,25)/t12?,13-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294493 (2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phen...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccccc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C22H28N6O5S/c23-14(22(31)32)7-9-34-10-15-17(29)18(30)21(33-15)28-12-27-16-19(25-11-26-20(16)28)24-8-6-13-4-2-1-3-5-13/h1-5,11-12,14-15,17-18,21,29-30H,6-10,23H2,(H,31,32)(H,24,25,26)/t14?,15-,17-,18-,21-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294483 (2-amino-4-(((2S,3S,4R,5R)-5-(7-amino-3H-[1,2,3]tri...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1nnc2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C13H19N7O5S/c14-5(13(23)24)1-2-26-3-6-8(21)9(22)12(25-6)20-11-7(18-19-20)10(15)16-4-17-11/h4-6,8-9,12,21-22H,1-3,14H2,(H,23,24)(H2,15,16,17)/t5?,6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294496 (2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(pyri...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3ccncc3)ncnc12)C(O)=O |r| Show InChI InChI=1S/C20H25N7O5S/c21-12(20(30)31)3-6-33-8-13-15(28)16(29)19(32-13)27-10-26-14-17(24-9-25-18(14)27)23-7-11-1-4-22-5-2-11/h1-2,4-5,9-10,12-13,15-16,19,28-29H,3,6-8,21H2,(H,30,31)(H,23,24,25)/t12?,13-,15-,16-,19-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538703 (CHEMBL4645141) Show SMILES CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C22H20N8O2S/c1-30(10-15-26-14-7-8-33-18(14)22(32)27-15)16(31)6-5-12-3-2-4-13(9-12)20-28-17-19(23)24-11-25-21(17)29-20/h2-4,7-9,11H,5-6,10H2,1H3,(H,26,27,32)(H3,23,24,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells by DRONE assay				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294485 (2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-2-fluoro-9H-p...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(F)nc12)C(O)=O |r| Show InChI InChI=1S/C14H19FN6O5S/c15-14-19-10(17)7-11(20-14)21(4-18-7)12-9(23)8(22)6(26-12)3-27-2-1-5(16)13(24)25/h4-6,8-9,12,22-23H,1-3,16H2,(H,24,25)(H2,17,19,20)/t5?,6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294481 (2-amino-4-(((2S,3S,4R,5R)-5-(4-amino-1H-imidazo[4,...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nccc12)C(O)=O |r| Show InChI InChI=1S/C15H21N5O5S/c16-7(15(23)24)2-4-26-5-9-11(21)12(22)14(25-9)20-6-19-10-8(20)1-3-18-13(10)17/h1,3,6-7,9,11-12,14,21-22H,2,4-5,16H2,(H2,17,18)(H,23,24)/t7?,9-,11-,12-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (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 MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre Curated by ChEMBL					Assay Description Inhibition of His6-tagged human recombinant DNMT3b expressed in insect Sf9 cells assessed as reduction in DNA methyltransferase activity using 5'-bio...				J Med Chem 58: 2569-83 (2015) Article DOI: 10.1021/jm500843d BindingDB Entry DOI: 10.7270/Q24T6M36
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538703 (CHEMBL4645141) Show SMILES CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C22H20N8O2S/c1-30(10-15-26-14-7-8-33-18(14)22(32)27-15)16(31)6-5-12-3-2-4-13(9-12)20-28-17-19(23)24-11-25-21(17)29-20/h2-4,7-9,11H,5-6,10H2,1H3,(H,26,27,32)(H3,23,24,25,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538702 (CHEMBL4634562) Show SMILES CN(Cc1ccc2cn[nH]c2c1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C23H22N8O/c1-31(12-15-5-7-17-11-27-30-18(17)10-15)19(32)8-6-14-3-2-4-16(9-14)22-28-20-21(24)25-13-26-23(20)29-22/h2-5,7,9-11,13H,6,8,12H2,1H3,(H,27,30)(H3,24,25,26,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294563 ((2S,4S)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...) Show SMILES CN1C[C@H](C[C@H]1C(O)=O)SC[C@H]1O[C@H](C(O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C16H22N6O5S/c1-21-3-7(2-8(21)16(25)26)28-4-9-11(23)12(24)15(27-9)22-6-20-10-13(17)18-5-19-14(10)22/h5-9,11-12,15,23-24H,2-4H2,1H3,(H,25,26)(H2,17,18,19)/t7-,8-,9+,11+,12?,15+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538701 (CHEMBL4647360) Show SMILES CN(Cc1cccnc1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C21H21N7O/c1-28(12-15-5-3-9-23-11-15)17(29)8-7-14-4-2-6-16(10-14)20-26-18-19(22)24-13-25-21(18)27-20/h2-6,9-11,13H,7-8,12H2,1H3,(H3,22,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294565 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((R)-py...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CCNC2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H20N6O3S/c15-12-9-13(18-5-17-12)20(6-19-9)14-11(22)10(21)8(23-14)4-24-7-1-2-16-3-7/h5-8,10-11,14,16,21-22H,1-4H2,(H2,15,17,18)/t7-,8-,10-,11-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538691 (CHEMBL4640870) Show SMILES O=C(CSc1ncnc2sccc12)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 Show InChI InChI=1S/C19H18N6O2S3/c26-15-9-13(22-19-25(15)6-8-29-19)10-23-2-4-24(5-3-23)16(27)11-30-18-14-1-7-28-17(14)20-12-21-18/h1,6-9,12H,2-5,10-11H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.35E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
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 3B (Homo sapiens (Human))	BDBM50294572 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((3-amin...) Show SMILES NCCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C13H20N6O3S/c14-2-1-3-23-4-7-9(20)10(21)13(22-7)19-6-18-8-11(15)16-5-17-12(8)19/h5-7,9-10,13,20-21H,1-4,14H2,(H2,15,16,17)/t7-,9-,10-,13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294569 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((R)-py...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CSC[C@H]2CCCN2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H22N6O3S/c16-13-10-14(19-6-18-13)21(7-20-10)15-12(23)11(22)9(24-15)5-25-4-8-2-1-3-17-8/h6-9,11-12,15,17,22-23H,1-5H2,(H2,16,18,19)/t8-,9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538695 (CHEMBL4642475) Show SMILES CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CCc1nc(no1)-c1ccncc1 Show InChI InChI=1S/C20H18N6O3/c1-26(12-16-22-15-5-3-2-4-14(15)20(28)23-16)18(27)7-6-17-24-19(25-29-17)13-8-10-21-11-9-13/h2-5,8-11H,6-7,12H2,1H3,(H,22,23,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294566 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-(((S)-py...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCNC2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H20N6O3S/c15-12-9-13(18-5-17-12)20(6-19-9)14-11(22)10(21)8(23-14)4-24-7-1-2-16-3-7/h5-8,10-11,14,16,21-22H,1-4H2,(H2,15,17,18)/t7-,8+,10+,11+,14+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294556 ((2S,3R,4S,5S)-2-(6-(2-(biphenyl-4-yl)ethylamino)-2...) Show SMILES O[C@@H]1[C@@H](CS[C@H]2CCNC2)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12 |r| Show InChI InChI=1S/C28H31ClN6O3S/c29-28-33-25(31-13-10-17-6-8-19(9-7-17)18-4-2-1-3-5-18)22-26(34-28)35(16-32-22)27-24(37)23(36)21(38-27)15-39-20-11-12-30-14-20/h1-9,16,20-21,23-24,27,30,36-37H,10-15H2,(H,31,33,34)/t20-,21+,23+,24+,27+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538700 (CHEMBL4647309) Show SMILES CN(Cc1nc2ccccc2[nH]1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C23H22N8O/c1-31(12-18-27-16-7-2-3-8-17(16)28-18)19(32)10-9-14-5-4-6-15(11-14)22-29-20-21(24)25-13-26-23(20)30-22/h2-8,11,13H,9-10,12H2,1H3,(H,27,28)(H3,24,25,26,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294479 (CHEMBL563570 | S-nebularinehomocysteine) Show SMILES N[C@@H](CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2cncnc12)C(O)=O |r| Show InChI InChI=1S/C14H19N5O5S/c15-7(14(22)23)1-2-25-4-9-10(20)11(21)13(24-9)19-6-18-8-3-16-5-17-12(8)19/h3,5-7,9-11,13,20-21H,1-2,4,15H2,(H,22,23)/t7-,9+,10+,11+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294498 (2-Amino-4-{(2S,3S,4R,5R)-5-[6-(2-biphenyl-4-yl-eth...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)nc(Cl)nc12)C(O)=O |r| Show InChI InChI=1S/C28H31ClN6O5S/c29-28-33-24(31-12-10-16-6-8-18(9-7-16)17-4-2-1-3-5-17)21-25(34-28)35(15-32-21)26-23(37)22(36)20(40-26)14-41-13-11-19(30)27(38)39/h1-9,15,19-20,22-23,26,36-37H,10-14,30H2,(H,38,39)(H,31,33,34)/t19?,20-,22-,23-,26-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294555 ((2R,3R,4S,5S)-2-(6-(2-(biphenyl-4-yl)ethylamino)-9...) Show SMILES O[C@@H]1[C@@H](CS[C@H]2CCNC2)O[C@H]([C@@H]1O)n1cnc2c(NCCc3ccc(cc3)-c3ccccc3)ncnc12 |r| Show InChI InChI=1S/C28H32N6O3S/c35-24-22(15-38-21-11-12-29-14-21)37-28(25(24)36)34-17-33-23-26(31-16-32-27(23)34)30-13-10-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-9,16-17,21-22,24-25,28-29,35-36H,10-15H2,(H,30,31,32)/t21-,22+,24+,25+,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538696 (CHEMBL4642377) Show SMILES C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccc(cc1)-n1ccnc1 |r| Show InChI InChI=1S/C23H24N4O2/c1-17(19-7-9-21(10-8-19)27-13-11-24-16-27)25-23(29)20-5-2-4-18(14-20)15-26-12-3-6-22(26)28/h2,4-5,7-11,13-14,16-17H,3,6,12,15H2,1H3,(H,25,29)/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.72E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294560 ((2S,4R)-4-(((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl...) Show SMILES Nc1ncnc2n(cnc12)[C@@H]1O[C@H](CS[C@@H]2CCN[C@@H](C2)C(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C16H22N6O5S/c17-13-10-14(20-5-19-13)22(6-21-10)15-12(24)11(23)9(27-15)4-28-7-1-2-18-8(3-7)16(25)26/h5-9,11-12,15,18,23-24H,1-4H2,(H,25,26)(H2,17,19,20)/t7-,8+,9-,11-,12-,15-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294573 ((2R,3R,4S,5S)-2-(6-amino-9H-purin-9-yl)-5-((2-amin...) Show SMILES NCCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 |r| Show InChI InChI=1S/C12H18N6O3S/c13-1-2-22-3-6-8(19)9(20)12(21-6)18-5-17-7-10(14)15-4-16-11(7)18/h4-6,8-9,12,19-20H,1-3,13H2,(H2,14,15,16)/t6-,8-,9-,12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	4.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294484 (2-amino-4-(((2S,3S,4R,5R)-5-(7-amino-3H-imidazo[4,...) Show SMILES NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ccnc12)C(O)=O |r| Show InChI InChI=1S/C15H21N5O5S/c16-7-1-3-18-13-10(7)19-6-20(13)14-12(22)11(21)9(25-14)5-26-4-2-8(17)15(23)24/h1,3,6,8-9,11-12,14,21-22H,2,4-5,17H2,(H2,16,18)(H,23,24)/t8?,9-,11-,12-,14-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2 expressed in baculovirus infected high five insect cells				Bioorg Med Chem Lett 19: 2747-51 (2009) Article DOI: 10.1016/j.bmcl.2009.03.113 BindingDB Entry DOI: 10.7270/Q2W37WC2
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50294575 ((2S,3R,4S,5S)-2-(6-amino-2-chloro-9H-purin-9-yl)-5...) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](CS[C@H]2CCNC2)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C14H19ClN6O3S/c15-14-19-11(16)8-12(20-14)21(5-18-8)13-10(23)9(22)7(24-13)4-25-6-1-2-17-3-6/h5-7,9-10,13,17,22-23H,1-4H2,(H2,16,19,20)/t6-,7+,9+,10+,13+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
MethylGene Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3b2				Bioorg Med Chem Lett 19: 2742-6 (2009) Article DOI: 10.1016/j.bmcl.2009.03.132 BindingDB Entry DOI: 10.7270/Q2C53KV4
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538699 (CHEMBL4637965) Show SMILES CN(Cc1ccc2cc[nH]c2c1)C(=O)CCc1cccc(c1)-c1nc2c(N)ncnc2[nH]1 Show InChI InChI=1S/C24H23N7O/c1-31(13-16-5-7-17-9-10-26-19(17)12-16)20(32)8-6-15-3-2-4-18(11-15)23-29-21-22(25)27-14-28-24(21)30-23/h2-5,7,9-12,14,26H,6,8,13H2,1H3,(H3,25,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Yale University Curated by ChEMBL					Assay Description Inhibition of human recombinant DNMT3B expressed in baculovirus infected insect cells using CpG site containing internally quenched hairpin oligonucl...				ACS Med Chem Lett 11: 971-976 (2020) Article DOI: 10.1021/acsmedchemlett.0c00011 BindingDB Entry DOI: 10.7270/Q2H998QH
					More data for this Ligand-Target Pair

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