Compile Data Set for Download or QSAR

Found 81 hits with Last Name = 'pechalrieu' and Initial = 'd'   

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
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506775 (CHEMBL4593437) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506777 (CHEMBL4476057) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506780 (CHEMBL4550522) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506778 (CHEMBL4469596) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506779 (CHEMBL4521590) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50506781 (CHEMBL4435005) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1 Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506775 (CHEMBL4593437) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506780 (CHEMBL4550522) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506781 (CHEMBL4435005) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1 Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506779 (CHEMBL4521590) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506778 (CHEMBL4469596) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50506777 (CHEMBL4476057) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using RHK-K(Ac) as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506780 (CHEMBL4550522) Show SMILES ONC(=O)\C=C\c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C20H17N3O3/c24-19(23-26)11-10-16-8-9-17(13-21-16)22-20(25)12-15-6-3-5-14-4-1-2-7-18(14)15/h1-11,13,26H,12H2,(H,22,25)(H,23,24)/b11-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506781 (CHEMBL4435005) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2ccccc2)cn1 Show InChI InChI=1S/C14H13N3O3/c18-13(8-10-4-2-1-3-5-10)16-11-6-7-12(15-9-11)14(19)17-20/h1-7,9,20H,8H2,(H,16,18)(H,17,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank 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
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506775 (CHEMBL4593437) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H23N3O3S/c26-20(25-28)9-5-2-6-14-29-22-23-19(15-21(27)24-22)18-12-10-17(11-13-18)16-7-3-1-4-8-16/h1,3-4,7-8,10-13,15,28H,2,5-6,9,14H2,(H,25,26)(H,23,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506779 (CHEMBL4521590) Show SMILES ONC(=O)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 Show InChI InChI=1S/C18H15N3O3/c22-17(20-14-8-9-16(19-11-14)18(23)21-24)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-9,11,24H,10H2,(H,20,22)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506778 (CHEMBL4469596) Show SMILES ONC(=O)CCCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H21N3O3S/c24-18(23-26)8-2-1-5-11-27-20-21-17(13-19(25)22-20)16-10-9-14-6-3-4-7-15(14)12-16/h3-4,6-7,9-10,12-13,26H,1-2,5,8,11H2,(H,23,24)(H,21,22,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50506777 (CHEMBL4476057) Show SMILES ONC(=O)CCCCSc1nc(cc(=O)[nH]1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C19H19N3O3S/c23-17(22-25)7-3-4-10-26-19-20-16(12-18(24)21-19)15-9-8-13-5-1-2-6-14(13)11-15/h1-2,5-6,8-9,11-12,25H,3-4,7,10H2,(H,22,23)(H,20,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC4 using Boc-Lys(trifluoroacetyl)-AMC as substrate by homogeneous fluorescence release assay				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					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))	BDBM50506774 (CHEMBL4470149) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)cc1 Show InChI InChI=1S/C29H32FN5O/c1-36-25-12-8-21(9-13-25)14-17-35-18-15-24(16-19-35)32-28-26-4-2-3-5-27(26)33-29(34-28)31-20-22-6-10-23(30)11-7-22/h2-13,24H,14-20H2,1H3,(H2,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT3a C-terminal catalytic domain (623 to 908 residues) using 5'-biotinylated/3'-FAM-oligonucleotide as substrate me...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EHMT2 (Homo sapiens (Human))	BDBM50506774 (CHEMBL4470149) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)cc1 Show InChI InChI=1S/C29H32FN5O/c1-36-25-12-8-21(9-13-25)14-17-35-18-15-24(16-19-35)32-28-26-4-2-3-5-27(26)33-29(34-28)31-20-22-6-10-23(30)11-7-22/h2-13,24H,14-20H2,1H3,(H2,31,32,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.09E+4	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-fused G9a (786 to 1210 residues) expressed in Escherichia coli using biotinylated H3 (1 to 21 residues...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50506776 (CHEMBL4442279) Show SMILES C(N1CCC(CC1)Nc1nc(nc2ccccc12)N1CCN(CC1)c1ccccc1)c1ccc2ccccc2c1 Show InChI InChI=1S/C34H36N6/c1-2-10-30(11-3-1)39-20-22-40(23-21-39)34-36-32-13-7-6-12-31(32)33(37-34)35-29-16-18-38(19-17-29)25-26-14-15-27-8-4-5-9-28(27)24-26/h1-15,24,29H,16-23,25H2,(H,35,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50506774 (CHEMBL4470149) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3ccccc23)cc1 Show InChI InChI=1S/C29H32FN5O/c1-36-25-12-8-21(9-13-25)14-17-35-18-15-24(16-19-35)32-28-26-4-2-3-5-27(26)33-29(34-28)31-20-22-6-10-23(30)11-7-22/h2-13,24H,14-20H2,1H3,(H2,31,32,33,34)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50506782 (CHEMBL4461581) Show SMILES COc1ccc(CCN2CCC(CC2)Nc2nc(NCc3ccc(F)cc3)nc3cc(OC)c(OC)cc23)cc1 Show InChI InChI=1S/C31H36FN5O3/c1-38-25-10-6-21(7-11-25)12-15-37-16-13-24(14-17-37)34-30-26-18-28(39-2)29(40-3)19-27(26)35-31(36-30)33-20-22-4-8-23(32)9-5-22/h4-11,18-19,24H,12-17,20H2,1-3H3,(H2,33,34,35,36)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50506783 (CHEMBL4582042) Show SMILES COc1cc2nc(nc(NC3CCN(Cc4ccccc4)CC3)c2cc1OC)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C32H38N6O2/c1-39-29-21-27-28(22-30(29)40-2)34-32(38-19-17-37(18-20-38)26-11-7-4-8-12-26)35-31(27)33-25-13-15-36(16-14-25)23-24-9-5-3-6-10-24/h3-12,21-22,25H,13-20,23H2,1-2H3,(H,33,34,35)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50506784 (CHEMBL4527662) Show SMILES COc1cc2c(NC3CCN(Cc4ccccc4)CC3)nc(nc2cc1OCc1ccccc1)N1CCN(CC1)c1ccccc1 Show InChI InChI=1S/C38H42N6O2/c1-45-35-25-33-34(26-36(35)46-28-30-13-7-3-8-14-30)40-38(44-23-21-43(22-24-44)32-15-9-4-10-16-32)41-37(33)39-31-17-19-42(20-18-31)27-29-11-5-2-6-12-29/h2-16,25-26,31H,17-24,27-28H2,1H3,(H,39,40,41)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of recombinant human DNMT1 using biotinylated DNA duplex as substrate measured after 2 hrs in presence of Adomet/[methyl-3H]Adomet by topc...				Eur J Med Chem 161: 277-291 (2019) Article DOI: 10.1016/j.ejmech.2018.10.041 BindingDB Entry DOI: 10.7270/Q21V5J76
					More data for this Ligand-Target Pair

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