Compile Data Set for Download or QSAR

Found 25 hits with Last Name = 'fleury' and Initial = 'l'   

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
Ceramide transfer protein (Homo sapiens (Human))	BDBM50067350 (CHEMBL3401790) Show SMILES CCCCCCCCCCCC(=O)N[C@H](CO)C[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier-Toulouse III Curated by ChEMBL					Assay Description Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...				Bioorg Med Chem 23: 2004-9 (2015) Article DOI: 10.1016/j.bmc.2015.03.019 BindingDB Entry DOI: 10.7270/Q2GT5PVM
					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
Ceramide transfer protein (Homo sapiens (Human))	BDBM50067352 (CHEMBL122892) Show SMILES CCCCCCCCCCCC(=O)N[C@@H](CO)C[C@@H](O)c1ccccc1 Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier-Toulouse III Curated by ChEMBL					Assay Description Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...				Bioorg Med Chem 23: 2004-9 (2015) Article DOI: 10.1016/j.bmc.2015.03.019 BindingDB Entry DOI: 10.7270/Q2GT5PVM
					More data for this Ligand-Target Pair
Ceramide transfer protein (Homo sapiens (Human))	BDBM50067353 (CHEMBL3401792) Show SMILES CCCCCCCCCCCC(=O)N[C@@H](CO)C[C@H](O)c1ccccc1 |r| Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Universit£ Paul Sabatier-Toulouse III Curated by ChEMBL					Assay Description Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...				Bioorg Med Chem 23: 2004-9 (2015) Article DOI: 10.1016/j.bmc.2015.03.019 BindingDB Entry DOI: 10.7270/Q2GT5PVM
					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
Ceramide transfer protein (Homo sapiens (Human))	BDBM50067351 (CHEMBL3401791) Show SMILES CCCCCCCCCCCC(=O)N[C@H](CO)C[C@@H](O)c1ccccc1 |r| Show InChI InChI=1S/C22H37NO3/c1-2-3-4-5-6-7-8-9-13-16-22(26)23-20(18-24)17-21(25)19-14-11-10-12-15-19/h10-12,14-15,20-21,24-25H,2-9,13,16-18H2,1H3,(H,23,26)/t20-,21+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.59E+5	n/a	n/a	n/a	n/a
Universit£ Paul Sabatier-Toulouse III Curated by ChEMBL					Assay Description Binding affinity to histidine-tagged human recombinant COL4A3ABP containing CERT START domain pre-incubated for 30 mins before biotinylated ceramide ...				Bioorg Med Chem 23: 2004-9 (2015) Article DOI: 10.1016/j.bmc.2015.03.019 BindingDB Entry DOI: 10.7270/Q2GT5PVM
					More data for this Ligand-Target Pair