Compile Data Set for Download or QSAR

Found 14 hits Enz. Inhib. hit(s) with all data for assayid = 3 entry = 50010423   

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))	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))	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))	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))	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))	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))	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))	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))	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))	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
DNA (cytosine-5)-methyltransferase 3B (Homo sapiens (Human))	BDBM50538694 (CHEMBL4647111) Show SMILES Cn1c(SCC(=O)Nc2ccc(Cl)c(c2)C(O)=O)nnc1-c1ccncc1 Show InChI InChI=1S/C17H14ClN5O3S/c1-23-15(10-4-6-19-7-5-10)21-22-17(23)27-9-14(24)20-11-2-3-13(18)12(8-11)16(25)26/h2-8H,9H2,1H3,(H,20,24)(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.68E+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))	BDBM50538697 (CHEMBL4641323) Show SMILES Cc1nccc(n1)-c1cccc(NS(=O)(=O)c2cc(cc(C)c2C)C(O)=O)c1 Show InChI InChI=1S/C20H19N3O4S/c1-12-9-16(20(24)25)11-19(13(12)2)28(26,27)23-17-6-4-5-15(10-17)18-7-8-21-14(3)22-18/h4-11,23H,1-3H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.04E+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))	BDBM50538693 (CHEMBL4632355) Show SMILES Cc1nccc(n1)-c1cccc(NS(=O)(=O)c2cc(ccc2C)C(O)=O)c1 Show InChI InChI=1S/C19H17N3O4S/c1-12-6-7-15(19(23)24)11-18(12)27(25,26)22-16-5-3-4-14(10-16)17-8-9-20-13(2)21-17/h3-11,22H,1-2H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.23E+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))	BDBM50538698 (CHEMBL4644275) Show SMILES Fc1cccc(F)c1CC(=O)NCCC(=O)Nc1ccncc1 Show InChI InChI=1S/C16H15F2N3O2/c17-13-2-1-3-14(18)12(13)10-16(23)20-9-6-15(22)21-11-4-7-19-8-5-11/h1-5,7-8H,6,9-10H2,(H,20,23)(H,19,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+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