Compile Data Set for Download or QSAR

Found 59 hits with Last Name = 'samson' and Initial = 'a'   

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
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peregrin (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	311	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	468	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 9 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	701	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Inhibition of BAZ2A (unknown origin) after 30 mins by AlphaScreen assay				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50485345 (CHEMBL2046656) Show SMILES Brc1ccc(cc1)C(=O)Cn1cc(COC(=O)CCN2c3ccccc3Sc3ccccc23)nn1 Show InChI InChI=1S/C26H21BrN4O3S/c27-19-11-9-18(10-12-19)23(32)16-30-15-20(28-29-30)17-34-26(33)13-14-31-21-5-1-3-7-24(21)35-25-8-4-2-6-22(25)31/h1-12,15H,13-14,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al. I. Cuza University of Iasi Curated by ChEMBL					Assay Description Inhibition of partially purified human recombinant FTase measured for 15 mins by automated fluorescence based assay				Bioorg Med Chem Lett 22: 4517-22 (2012) Article DOI: 10.1016/j.bmcl.2012.06.007 BindingDB Entry DOI: 10.7270/Q2CZ3B0Z
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50485343 (CHEMBL2046655) Show SMILES Clc1ccc(cc1)C(=O)Cn1cc(COC(=O)CCN2c3ccccc3Sc3ccccc23)nn1 Show InChI InChI=1S/C26H21ClN4O3S/c27-19-11-9-18(10-12-19)23(32)16-30-15-20(28-29-30)17-34-26(33)13-14-31-21-5-1-3-7-24(21)35-25-8-4-2-6-22(25)31/h1-12,15H,13-14,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al. I. Cuza University of Iasi Curated by ChEMBL					Assay Description Inhibition of partially purified human recombinant FTase measured for 15 mins by automated fluorescence based assay				Bioorg Med Chem Lett 22: 4517-22 (2012) Article DOI: 10.1016/j.bmcl.2012.06.007 BindingDB Entry DOI: 10.7270/Q2CZ3B0Z
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	2.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50485344 (CHEMBL2046654) Show SMILES O=C(CCN1c2ccccc2Sc2ccccc12)NCc1cn(CC(=O)c2ccc(cc2)C#N)nn1 Show InChI InChI=1S/C27H22N6O2S/c28-15-19-9-11-20(12-10-19)24(34)18-32-17-21(30-31-32)16-29-27(35)13-14-33-22-5-1-3-7-25(22)36-26-8-4-2-6-23(26)33/h1-12,17H,13-14,16,18H2,(H,29,35)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al. I. Cuza University of Iasi Curated by ChEMBL					Assay Description Inhibition of partially purified human recombinant FTase measured for 15 mins by automated fluorescence based assay				Bioorg Med Chem Lett 22: 4517-22 (2012) Article DOI: 10.1016/j.bmcl.2012.06.007 BindingDB Entry DOI: 10.7270/Q2CZ3B0Z
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50485342 (CHEMBL2046652) Show SMILES Clc1ccc(cc1)C(=O)Cn1cc(CNC(=O)CCN2c3ccccc3Sc3ccccc23)nn1 Show InChI InChI=1S/C26H22ClN5O2S/c27-19-11-9-18(10-12-19)23(33)17-31-16-20(29-30-31)15-28-26(34)13-14-32-21-5-1-3-7-24(21)35-25-8-4-2-6-22(25)32/h1-12,16H,13-15,17H2,(H,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al. I. Cuza University of Iasi Curated by ChEMBL					Assay Description Inhibition of partially purified human recombinant FTase measured for 15 mins by automated fluorescence based assay				Bioorg Med Chem Lett 22: 4517-22 (2012) Article DOI: 10.1016/j.bmcl.2012.06.007 BindingDB Entry DOI: 10.7270/Q2CZ3B0Z
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50485346 (CHEMBL2046653) Show SMILES Brc1ccc(cc1)C(=O)Cn1cc(CNC(=O)CCN2c3ccccc3Sc3ccccc23)nn1 Show InChI InChI=1S/C26H22BrN5O2S/c27-19-11-9-18(10-12-19)23(33)17-31-16-20(29-30-31)15-28-26(34)13-14-32-21-5-1-3-7-24(21)35-25-8-4-2-6-22(25)32/h1-12,16H,13-15,17H2,(H,28,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Al. I. Cuza University of Iasi Curated by ChEMBL					Assay Description Inhibition of partially purified human recombinant FTase measured for 15 mins by automated fluorescence based assay				Bioorg Med Chem Lett 22: 4517-22 (2012) Article DOI: 10.1016/j.bmcl.2012.06.007 BindingDB Entry DOI: 10.7270/Q2CZ3B0Z
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50485341 (CHEMBL2046657) Show SMILES Brc1ccc(cc1)C(=O)Cn1cc(CNC(=O)CN2c3ccccc3Sc3ccccc23)nn1 Show InChI InChI=1S/C25H20BrN5O2S/c26-18-11-9-17(10-12-18)22(32)15-30-14-19(28-29-30)13-27-25(33)16-31-20-5-1-3-7-23(20)34-24-8-4-2-6-21(24)31/h1-12,14H,13,15-16H2,(H,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
Al. I. Cuza University of Iasi Curated by ChEMBL					Assay Description Inhibition of partially purified human recombinant FTase measured for 15 mins by automated fluorescence based assay				Bioorg Med Chem Lett 22: 4517-22 (2012) Article DOI: 10.1016/j.bmcl.2012.06.007 BindingDB Entry DOI: 10.7270/Q2CZ3B0Z
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50110807 (CHEMBL3605935) Show SMILES CCSCC(C(=O)c1ccc(Cl)cc1)n1cnc2ccccc12 Show InChI InChI=1S/C18H17ClN2OS/c1-2-23-11-17(18(22)13-7-9-14(19)10-8-13)21-12-20-15-5-3-4-6-16(15)21/h3-10,12,17H,2,11H2,1H3	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	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a
Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388 Curated by ChEMBL					Assay Description Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay				Bioorg Med Chem 23: 5946-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.066 BindingDB Entry DOI: 10.7270/Q2P270X8
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239284 (CHEMBL4096360) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1ccccc1 Show InChI InChI=1S/C34H38N6O/c1-2-7-26(8-3-1)9-6-17-37-34-30-13-12-28(23-33(30)38-25-39-34)41-24-27-15-20-40(21-16-27)22-19-36-32-14-18-35-31-11-5-4-10-29(31)32/h1-5,7-8,10-14,18,23,25,27H,6,9,15-17,19-22,24H2,(H,35,36)(H,37,38,39)	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	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239285 (CHEMBL4096869) Show SMILES Cc1cc(NCCN2CCC(COc3ccc4c(NCCCc5ccccc5)ncnc4c3)CC2)c2ccccc2n1 Show InChI InChI=1S/C35H40N6O/c1-26-22-33(30-11-5-6-12-32(30)40-26)36-18-21-41-19-15-28(16-20-41)24-42-29-13-14-31-34(23-29)38-25-39-35(31)37-17-7-10-27-8-3-2-4-9-27/h2-6,8-9,11-14,22-23,25,28H,7,10,15-21,24H2,1H3,(H,36,40)(H,37,38,39)	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	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239286 (CHEMBL4084601) Show SMILES C(CN1CCC(COc2ccc3c(NCCc4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12 Show InChI InChI=1S/C33H36N6O/c1-2-6-25(7-3-1)12-16-36-33-29-11-10-27(22-32(29)37-24-38-33)40-23-26-14-19-39(20-15-26)21-18-35-31-13-17-34-30-9-5-4-8-28(30)31/h1-11,13,17,22,24,26H,12,14-16,18-21,23H2,(H,34,35)(H,36,37,38)	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	n/a	n/a	4.90E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239287 (CHEMBL4100095) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1ccccc1 Show InChI InChI=1S/C33H37N7O/c1-2-6-26(7-3-1)34-16-17-37-33-29-11-10-27(22-32(29)38-24-39-33)41-23-25-13-19-40(20-14-25)21-18-36-31-12-15-35-30-9-5-4-8-28(30)31/h1-12,15,22,24-25,34H,13-14,16-21,23H2,(H,35,36)(H,37,38,39)	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	n/a	n/a	6.80E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239288 (CHEMBL4097685) Show SMILES Clc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1 Show InChI InChI=1S/C33H35ClN6O/c34-26-7-5-24(6-8-26)11-15-37-33-29-10-9-27(21-32(29)38-23-39-33)41-22-25-13-18-40(19-14-25)20-17-36-31-12-16-35-30-4-2-1-3-28(30)31/h1-10,12,16,21,23,25H,11,13-15,17-20,22H2,(H,35,36)(H,37,38,39)	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	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239289 (CHEMBL4096752) Show SMILES COc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1 Show InChI InChI=1S/C34H38N6O2/c1-41-27-8-6-25(7-9-27)12-16-37-34-30-11-10-28(22-33(30)38-24-39-34)42-23-26-14-19-40(20-15-26)21-18-36-32-13-17-35-31-5-3-2-4-29(31)32/h2-11,13,17,22,24,26H,12,14-16,18-21,23H2,1H3,(H,35,36)(H,37,38,39)	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	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239290 (CHEMBL4099197) Show SMILES C(CN1CCC(COc2ccc3c(NCc4ccc(cc4)-c4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12 Show InChI InChI=1S/C38H38N6O/c1-2-6-30(7-3-1)31-12-10-28(11-13-31)25-41-38-34-15-14-32(24-37(34)42-27-43-38)45-26-29-17-21-44(22-18-29)23-20-40-36-16-19-39-35-9-5-4-8-33(35)36/h1-16,19,24,27,29H,17-18,20-23,25-26H2,(H,39,40)(H,41,42,43)	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	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239291 (CHEMBL4091463) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1cccc2ccccc12 Show InChI InChI=1S/C37H39N7O/c1-2-8-30-28(6-1)7-5-11-33(30)39-18-19-41-37-32-13-12-29(24-36(32)42-26-43-37)45-25-27-15-21-44(22-16-27)23-20-40-35-14-17-38-34-10-4-3-9-31(34)35/h1-14,17,24,26-27,39H,15-16,18-23,25H2,(H,38,40)(H,41,42,43)	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	n/a	n/a	300	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239284 (CHEMBL4096360) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1ccccc1 Show InChI InChI=1S/C34H38N6O/c1-2-7-26(8-3-1)9-6-17-37-34-30-13-12-28(23-33(30)38-25-39-34)41-24-27-15-20-40(21-16-27)22-19-36-32-14-18-35-31-11-5-4-10-29(31)32/h1-5,7-8,10-14,18,23,25,27H,6,9,15-17,19-22,24H2,(H,35,36)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239285 (CHEMBL4096869) Show SMILES Cc1cc(NCCN2CCC(COc3ccc4c(NCCCc5ccccc5)ncnc4c3)CC2)c2ccccc2n1 Show InChI InChI=1S/C35H40N6O/c1-26-22-33(30-11-5-6-12-32(30)40-26)36-18-21-41-19-15-28(16-20-41)24-42-29-13-14-31-34(23-29)38-25-39-35(31)37-17-7-10-27-8-3-2-4-9-27/h2-6,8-9,11-14,22-23,25,28H,7,10,15-21,24H2,1H3,(H,36,40)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239286 (CHEMBL4084601) Show SMILES C(CN1CCC(COc2ccc3c(NCCc4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12 Show InChI InChI=1S/C33H36N6O/c1-2-6-25(7-3-1)12-16-36-33-29-11-10-27(22-32(29)37-24-38-33)40-23-26-14-19-39(20-15-26)21-18-35-31-13-17-34-30-9-5-4-8-28(30)31/h1-11,13,17,22,24,26H,12,14-16,18-21,23H2,(H,34,35)(H,36,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239287 (CHEMBL4100095) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1ccccc1 Show InChI InChI=1S/C33H37N7O/c1-2-6-26(7-3-1)34-16-17-37-33-29-11-10-27(22-32(29)38-24-39-33)41-23-25-13-19-40(20-14-25)21-18-36-31-12-15-35-30-9-5-4-8-28(30)31/h1-12,15,22,24-25,34H,13-14,16-21,23H2,(H,35,36)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	7.30E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239288 (CHEMBL4097685) Show SMILES Clc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1 Show InChI InChI=1S/C33H35ClN6O/c34-26-7-5-24(6-8-26)11-15-37-33-29-10-9-27(21-32(29)38-23-39-33)41-22-25-13-18-40(19-14-25)20-17-36-31-12-16-35-30-4-2-1-3-28(30)31/h1-10,12,16,21,23,25H,11,13-15,17-20,22H2,(H,35,36)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239290 (CHEMBL4099197) Show SMILES C(CN1CCC(COc2ccc3c(NCc4ccc(cc4)-c4ccccc4)ncnc3c2)CC1)Nc1ccnc2ccccc12 Show InChI InChI=1S/C38H38N6O/c1-2-6-30(7-3-1)31-12-10-28(11-13-31)25-41-38-34-15-14-32(24-37(34)42-27-43-38)45-26-29-17-21-44(22-18-29)23-20-40-36-16-19-39-35-9-5-4-8-33(35)36/h1-16,19,24,27,29H,17-18,20-23,25-26H2,(H,39,40)(H,41,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239292 (CHEMBL4070549) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H40N6O/c1-2-11-32-29(7-1)8-5-9-30(32)10-6-19-41-38-34-15-14-31(25-37(34)42-27-43-38)45-26-28-17-22-44(23-18-28)24-21-40-36-16-20-39-35-13-4-3-12-33(35)36/h1-5,7-9,11-16,20,25,27-28H,6,10,17-19,21-24,26H2,(H,39,40)(H,41,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239291 (CHEMBL4091463) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Nc1cccc2ccccc12 Show InChI InChI=1S/C37H39N7O/c1-2-8-30-28(6-1)7-5-11-33(30)39-18-19-41-37-32-13-12-29(24-36(32)42-26-43-37)45-25-27-15-21-44(22-16-27)23-20-40-35-14-17-38-34-10-4-3-9-31(34)35/h1-14,17,24,26-27,39H,15-16,18-23,25H2,(H,38,40)(H,41,42,43)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239293 (CHEMBL4076088) Show SMILES COc1cc2nccc(NCCN3CCC(COc4ccc5c(NCCCc6ccccc6)ncnc5c4)CC3)c2cc1OC Show InChI InChI=1S/C36H42N6O3/c1-43-34-22-30-31(12-16-37-33(30)23-35(34)44-2)38-17-20-42-18-13-27(14-19-42)24-45-28-10-11-29-32(21-28)40-25-41-36(29)39-15-6-9-26-7-4-3-5-8-26/h3-5,7-8,10-12,16,21-23,25,27H,6,9,13-15,17-20,24H2,1-2H3,(H,37,38)(H,39,40,41)	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	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239294 (CHEMBL4070517) Show SMILES Clc1cccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)c1 Show InChI InChI=1S/C33H35ClN6O/c34-26-5-3-4-24(20-26)10-14-37-33-29-9-8-27(21-32(29)38-23-39-33)41-22-25-12-17-40(18-13-25)19-16-36-31-11-15-35-30-7-2-1-6-28(30)31/h1-9,11,15,20-21,23,25H,10,12-14,16-19,22H2,(H,35,36)(H,37,38,39)	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	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50239292 (CHEMBL4070549) Show SMILES C(CNc1ncnc2cc(OCC3CCN(CCNc4ccnc5ccccc45)CC3)ccc12)Cc1cccc2ccccc12 Show InChI InChI=1S/C38H40N6O/c1-2-11-32-29(7-1)8-5-9-30(32)10-6-19-41-38-34-15-14-31(25-37(34)42-27-43-38)45-26-28-17-22-44(23-18-28)24-21-40-36-16-20-39-35-13-4-3-12-33(35)36/h1-5,7-9,11-16,20,25,27-28H,6,10,17-19,21-24,26H2,(H,39,40)(H,41,42,43)	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	n/a	n/a	1.90E+3	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of human DNMT3A catalytic domain using AdoMet assessed as reduction of methylation in 5'-biotin/3' 6-carboxyfluorescein labeled DNA duplex...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239293 (CHEMBL4076088) Show SMILES COc1cc2nccc(NCCN3CCC(COc4ccc5c(NCCCc6ccccc6)ncnc5c4)CC3)c2cc1OC Show InChI InChI=1S/C36H42N6O3/c1-43-34-22-30-31(12-16-37-33(30)23-35(34)44-2)38-17-20-42-18-13-27(14-19-42)24-45-28-10-11-29-32(21-28)40-25-41-36(29)39-15-6-9-26-7-4-3-5-8-26/h3-5,7-8,10-12,16,21-23,25,27H,6,9,13-15,17-20,24H2,1-2H3,(H,37,38)(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.00E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50239289 (CHEMBL4096752) Show SMILES COc1ccc(CCNc2ncnc3cc(OCC4CCN(CCNc5ccnc6ccccc56)CC4)ccc23)cc1 Show InChI InChI=1S/C34H38N6O2/c1-41-27-8-6-25(7-9-27)12-16-37-34-30-11-10-28(22-33(30)38-24-39-34)42-23-26-14-19-40(20-15-26)21-18-36-32-13-17-35-31-5-3-2-4-29(31)32/h2-11,13,17,22,24,26H,12,14-16,18-21,23H2,1H3,(H,35,36)(H,37,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a
CNRS-Pierre Fabre USR3388 Curated by ChEMBL					Assay Description Inhibition of full length His-tagged human DNMT1 using SAM/[methyl-3H]SAM assessed as reduction of methylation in biotinylated hemimethylated DNA dup...				J Med Chem 60: 4665-4679 (2017) Article DOI: 10.1021/acs.jmedchem.7b00176 BindingDB Entry DOI: 10.7270/Q2MK6G1K
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50110806 (CHEMBL3605951) Show SMILES Clc1ccc(cc1)C(=O)C(=C)n1cnc2ccccc12 Show InChI InChI=1S/C16H11ClN2O/c1-11(16(20)12-6-8-13(17)9-7-12)19-10-18-14-4-2-3-5-15(14)19/h2-10H,1H2	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	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a
Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388 Curated by ChEMBL					Assay Description Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay				Bioorg Med Chem 23: 5946-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.066 BindingDB Entry DOI: 10.7270/Q2P270X8
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (Homo sapiens (Human))	BDBM50110805 (CHEMBL3605964) Show SMILES CCOCC(C(=O)c1ccc(Cl)cc1)n1cnc2ncnc(N)c12 Show InChI InChI=1S/C16H16ClN5O2/c1-2-24-7-12(14(23)10-3-5-11(17)6-4-10)22-9-21-16-13(22)15(18)19-8-20-16/h3-6,8-9,12H,2,7H2,1H3,(H2,18,19,20)	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	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a
Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388 Curated by ChEMBL					Assay Description Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay				Bioorg Med Chem 23: 5946-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.066 BindingDB Entry DOI: 10.7270/Q2P270X8
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 3A (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	n/a	n/a	900	n/a	n/a	n/a	n/a
Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388 Curated by ChEMBL					Assay Description Inhibition of human C-terminal DNMT3A after 1 hr by fluorescence assay				Bioorg Med Chem 23: 5946-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.066 BindingDB Entry DOI: 10.7270/Q2P270X8
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (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 antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.02E+4	n/a	n/a	n/a	n/a
Unit£ de Service et de Recherche CNRS-Pierre Fabre n£3388 Curated by ChEMBL					Assay Description Inhibition of human His-DNMT1 using [methyl-3H]SAM as substrate after 2 hrs				Bioorg Med Chem 23: 5946-53 (2015) Article DOI: 10.1016/j.bmc.2015.06.066 BindingDB Entry DOI: 10.7270/Q2P270X8
					More data for this Ligand-Target Pair
Nucleosome-remodeling factor subunit BPTF (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	1.89E+3	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to BAZ2B (unknown origin) by isothermal titration calorimetric analysis				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Chromatin remodeling regulator CECR2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Binding affinity to BAZ2A (unknown origin) by isothermal titration calorimetric analysis				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Bromodomain and PHD finger-containing protein 3 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	8.62E+3	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	172	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain testis-specific protein (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Bromodomain-containing protein 2 (Homo sapiens (Human))	BDBM50504160 (CHEMBL3133807 | US11773085, Compound B25) Show SMILES CCOC(=O)Nc1cc(nn2c(C)nnc12)-c1ccc(C)c(NS(C)(=O)=O)c1 Show InChI InChI=1S/C17H20N6O4S/c1-5-27-17(24)18-15-9-14(21-23-11(3)19-20-16(15)23)12-7-6-10(2)13(8-12)22-28(4,25)26/h6-9,22H,5H2,1-4H3,(H,18,24)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PubMed	n/a	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a
University of Oxford Curated by ChEMBL					Assay Description Displacement of H3K14Ac from BAZ2B (unknown origin) preincubated for 30 mins with non-biotinylated peptide followed by addition of biotinylated pepti...				Sci Adv 2: (2016) BindingDB Entry DOI: 10.7270/Q24J0JPZ
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 59 total )  |  Next  |  Last  >>

Jump to: