Compile Data Set for Download or QSAR

Found 367 hits with Last Name = 'turlais' and Initial = 'f'   

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 1 (Homo sapiens (Human))	BDBM50386447 (CHEMBL2047701) Show SMILES Oc1c(Br)cc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C11H12Br2N2O3S/c12-7-3-6(4-8(13)10(7)16)5-9(15-18)11(17)14-1-2-19/h3-4,9,16,19H,1-2,5H2,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386442 (CHEMBL2047694) Show SMILES CSc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C12H15BrN2O2S2/c1-19-11-3-2-8(6-9(11)13)7-10(15-17)12(16)14-4-5-18/h2-3,6,10,18H,4-5,7H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.480	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386435 (CHEMBL2047702) Show SMILES COc1cc(CC(N=O)C(=O)NCCS)ccc1SC Show InChI InChI=1S/C13H18N2O3S2/c1-18-11-8-9(3-4-12(11)20-2)7-10(15-17)13(16)14-5-6-19/h3-4,8,10,19H,5-7H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386453 (CHEMBL2047540) Show SMILES Oc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C11H13BrN2O3S/c12-8-5-7(1-2-10(8)15)6-9(14-17)11(16)13-3-4-18/h1-2,5,9,15,18H,3-4,6H2,(H,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386443 (CHEMBL2047695) Show SMILES COc1cc(CC(N=O)C(=O)NCCS)cc(I)c1OC Show InChI InChI=1S/C13H17IN2O4S/c1-19-11-7-8(5-9(14)12(11)20-2)6-10(16-18)13(17)15-3-4-21/h5,7,10,21H,3-4,6H2,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386434 (CHEMBL2047699) Show SMILES [O-][N+](=O)c1cccc(CC(N=O)C(=O)NCCS)c1 Show InChI InChI=1S/C11H13N3O4S/c15-11(12-4-5-19)10(13-16)7-8-2-1-3-9(6-8)14(17)18/h1-3,6,10,19H,4-5,7H2,(H,12,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386441 (CHEMBL2047692) Show SMILES Fc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C11H12BrFN2O2S/c12-8-5-7(1-2-9(8)13)6-10(15-17)11(16)14-3-4-18/h1-2,5,10,18H,3-4,6H2,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386448 (CHEMBL2047703) Show SMILES CN(C)c1ccc(CC(N=O)C(=O)NCCS)cc1 Show InChI InChI=1S/C13H19N3O2S/c1-16(2)11-5-3-10(4-6-11)9-12(15-18)13(17)14-7-8-19/h3-6,12,19H,7-9H2,1-2H3,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386444 (CHEMBL2047696) Show SMILES COc1cc(CC(N=O)C(=O)NCCS)cc(Br)c1OC Show InChI InChI=1S/C13H17BrN2O4S/c1-19-11-7-8(5-9(14)12(11)20-2)6-10(16-18)13(17)15-3-4-21/h5,7,10,21H,3-4,6H2,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386440 (CHEMBL2047691) Show SMILES COc1ccc(CC(N=O)C(=O)NCCS)cc1I Show InChI InChI=1S/C12H15IN2O3S/c1-18-11-3-2-8(6-9(11)13)7-10(15-17)12(16)14-4-5-19/h2-3,6,10,19H,4-5,7H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386457 (CHEMBL2047541) Show SMILES COc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C12H15BrN2O3S/c1-18-11-3-2-8(6-9(11)13)7-10(15-17)12(16)14-4-5-19/h2-3,6,10,19H,4-5,7H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386450 (CHEMBL2047684) Show SMILES ONC(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)N=O Show InChI InChI=1S/C12H14BrN3O5/c13-8-5-7(1-2-10(8)17)6-9(15-20)12(19)14-4-3-11(18)16-21/h1-2,5,9,17,21H,3-4,6H2,(H,14,19)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386439 (CHEMBL2047690) Show SMILES CSc1ccc(CC(N=O)C(=O)NCCS)cc1 Show InChI InChI=1S/C12H16N2O2S2/c1-18-10-4-2-9(3-5-10)8-11(14-16)12(15)13-6-7-17/h2-5,11,17H,6-8H2,1H3,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386445 (CHEMBL2047698) Show SMILES COc1ccc(CC(N=O)C(=O)NCCS)cc1OC Show InChI InChI=1S/C13H18N2O4S/c1-18-11-4-3-9(8-12(11)19-2)7-10(15-17)13(16)14-5-6-20/h3-4,8,10,20H,5-7H2,1-2H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386437 (CHEMBL2047688) Show SMILES Oc1ccc(CC(N=O)C(=O)NCCS)cc1 Show InChI InChI=1S/C11H14N2O3S/c14-9-3-1-8(2-4-9)7-10(13-16)11(15)12-5-6-17/h1-4,10,14,17H,5-7H2,(H,12,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386449 (CHEMBL2047704) Show SMILES CN(C)c1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C13H18BrN3O2S/c1-17(2)12-4-3-9(7-10(12)14)8-11(16-19)13(18)15-5-6-20/h3-4,7,11,20H,5-6,8H2,1-2H3,(H,15,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386452 (CHEMBL2047680) Show SMILES NN=C(Cc1ccc(O)c(Br)c1)C(=O)NCCS |w:1.0| Show InChI InChI=1S/C11H14BrN3O2S/c12-8-5-7(1-2-10(8)16)6-9(15-13)11(17)14-3-4-18/h1-2,5,16,18H,3-4,6,13H2,(H,14,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386446 (CHEMBL2047700) Show SMILES [O-][N+](=O)c1cc(Br)cc(CC(N=O)C(=O)NCCS)c1 Show InChI InChI=1S/C11H12BrN3O4S/c12-8-3-7(4-9(6-8)15(18)19)5-10(14-17)11(16)13-1-2-20/h3-4,6,10,20H,1-2,5H2,(H,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386472 (CHEMBL2047681) Show SMILES COc1ccc(CC(=NN)C(=O)NCCS)cc1Br |w:8.8| Show InChI InChI=1S/C12H16BrN3O2S/c1-18-11-3-2-8(6-9(11)13)7-10(16-14)12(17)15-4-5-19/h2-3,6,19H,4-5,7,14H2,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386438 (CHEMBL2047689) Show SMILES Fc1ccc(CC(N=O)C(=O)NCCS)cc1 Show InChI InChI=1S/C11H13FN2O2S/c12-9-3-1-8(2-4-9)7-10(14-16)11(15)13-5-6-17/h1-4,10,17H,5-7H2,(H,13,15)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386436 (CHEMBL2047687) Show SMILES SCCNC(=O)C(Cc1ccccc1)N=O Show InChI InChI=1S/C11H14N2O2S/c14-11(12-6-7-16)10(13-15)8-9-4-2-1-3-5-9/h1-5,10,16H,6-8H2,(H,12,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386462 (CHEMBL2047670) Show SMILES CO\N=C(/Cc1ccc(OC)c(Br)c1)C(=O)NCCS Show InChI InChI=1S/C13H17BrN2O3S/c1-18-12-4-3-9(7-10(12)14)8-11(16-19-2)13(17)15-5-6-20/h3-4,7,20H,5-6,8H2,1-2H3,(H,15,17)/b16-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
DNA (cytosine-5)-methyltransferase 1 (Homo sapiens (Human))	BDBM50117090 ((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...) Show SMILES Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br Show InChI InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,17-18,29-30H,5-8,11-12H2,(H,25,31)(H,26,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18.6	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of semi-purified DNMT1				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386431 (CHEMBL2047669) Show SMILES CO\N=C(/Cc1ccc(O)c(Br)c1)C(=O)NCCS Show InChI InChI=1S/C12H15BrN2O3S/c1-18-15-10(12(17)14-4-5-19)7-8-2-3-11(16)9(13)6-8/h2-3,6,16,19H,4-5,7H2,1H3,(H,14,17)/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241539 (CHEMBL4084845) Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386456 (CHEMBL2047539) Show SMILES COc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(OC)c(Br)c2)N=O)cc1Br Show InChI InChI=1S/C24H28Br2N4O6S2/c1-35-21-5-3-15(11-17(21)25)13-19(29-33)23(31)27-7-9-37-38-10-8-28-24(32)20(30-34)14-16-4-6-22(36-2)18(26)12-16/h3-6,11-12,19-20H,7-10,13-14H2,1-2H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50117090 ((E,E)-Psammaplin A | 3-(3-Bromo-4-hydroxy-phenyl)-...) Show SMILES Oc1ccc(CC(N=O)C(=O)NCCSSCCNC(=O)C(Cc2ccc(O)c(Br)c2)N=O)cc1Br Show InChI InChI=1S/C22H24Br2N4O6S2/c23-15-9-13(1-3-19(15)29)11-17(27-33)21(31)25-5-7-35-36-8-6-26-22(32)18(28-34)12-14-2-4-20(30)16(24)10-14/h1-4,9-10,17-18,29-30H,5-8,11-12H2,(H,25,31)(H,26,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241533 (CHEMBL4102775) Show SMILES COc1ccc(CN(CC(=O)N2CCC3(CNC3)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C24H27FN4O2/c1-31-22-7-4-19(12-21(22)25)14-29(20-5-2-18(13-26)3-6-20)15-23(30)28-10-8-24(9-11-28)16-27-17-24/h2-7,12,27H,8-11,14-17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ...				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386450 (CHEMBL2047684) Show SMILES ONC(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)N=O Show InChI InChI=1S/C12H14BrN3O5/c13-8-5-7(1-2-10(8)17)6-9(15-20)12(19)14-4-3-11(18)16-21/h1-2,5,9,17,21H,3-4,6H2,(H,14,19)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386442 (CHEMBL2047694) Show SMILES CSc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C12H15BrN2O2S2/c1-19-11-3-2-8(6-9(11)13)7-10(15-17)12(16)14-4-5-18/h2-3,6,10,18H,4-5,7H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241526 (CHEMBL4095018) Show SMILES COc1ccc(CN(CC(=O)N2CCC(CN)CC2)c2ccc(cc2)C#N)cc1F Show InChI InChI=1S/C23H27FN4O2/c1-30-22-7-4-19(12-21(22)24)15-28(20-5-2-17(13-25)3-6-20)16-23(29)27-10-8-18(14-26)9-11-27/h2-7,12,18H,8-11,14-16,26H2,1H3	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	210	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ...				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386431 (CHEMBL2047669) Show SMILES CO\N=C(/Cc1ccc(O)c(Br)c1)C(=O)NCCS Show InChI InChI=1S/C12H15BrN2O3S/c1-18-15-10(12(17)14-4-5-19)7-8-2-3-11(16)9(13)6-8/h2-3,6,16,19H,4-5,7H2,1H3,(H,14,17)/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386461 (CHEMBL2047668) Show SMILES CO\N=C(/Cc1ccc(OC)c(Br)c1)C(=O)NCCSSCCNC(=O)C(\Cc1ccc(OC)c(Br)c1)=N\OC Show InChI InChI=1S/C26H32Br2N4O6S2/c1-35-23-7-5-17(13-19(23)27)15-21(31-37-3)25(33)29-9-11-39-40-12-10-30-26(34)22(32-38-4)16-18-6-8-24(36-2)20(28)14-18/h5-8,13-14H,9-12,15-16H2,1-4H3,(H,29,33)(H,30,34)/b31-21+,32-22+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386440 (CHEMBL2047691) Show SMILES COc1ccc(CC(N=O)C(=O)NCCS)cc1I Show InChI InChI=1S/C12H15IN2O3S/c1-18-11-3-2-8(6-9(11)13)7-10(15-17)12(16)14-4-5-19/h2-3,6,10,19H,4-5,7H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386468 (CHEMBL2046456) Show SMILES COc1ccc(CC(=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C12H14BrNO3S/c1-17-11-3-2-8(6-9(11)13)7-10(15)12(16)14-4-5-18/h2-3,6,18H,4-5,7H2,1H3,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386443 (CHEMBL2047695) Show SMILES COc1cc(CC(N=O)C(=O)NCCS)cc(I)c1OC Show InChI InChI=1S/C13H17IN2O4S/c1-19-11-7-8(5-9(14)12(11)20-2)6-10(16-18)13(17)15-3-4-21/h5,7,10,21H,3-4,6H2,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241535 (CHEMBL4068129) Show SMILES Cc1ccc(CN(CC(=O)N2CCC(CN)CC2)c2ccc(cc2)C#N)cc1 Show InChI InChI=1S/C23H28N4O/c1-18-2-4-21(5-3-18)16-27(22-8-6-19(14-24)7-9-22)17-23(28)26-12-10-20(15-25)11-13-26/h2-9,20H,10-13,15-17,25H2,1H3	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	290	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibitory activity against human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Histone deacetylase-like amidohydrolase (Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)	BDBM50386450 (CHEMBL2047684) Show SMILES ONC(=O)CCNC(=O)C(Cc1ccc(O)c(Br)c1)N=O Show InChI InChI=1S/C12H14BrN3O5/c13-8-5-7(1-2-10(8)17)6-9(15-20)12(19)14-4-3-11(18)16-21/h1-2,5,9,17,21H,3-4,6H2,(H,14,19)(H,16,18)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of Bordetella sp. (strain FB188) N-terminus His-tagged HDAH expressed in Escherichia coli BL21 (DE3)				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase-like amidohydrolase (Alcaligenes sp. (strain DSM 11172) (Bordetella sp....)	BDBM50386451 (CHEMBL2047685) Show SMILES ONC(=O)CCCNC(=O)C(Cc1ccc(O)c(Br)c1)N=O Show InChI InChI=1S/C13H16BrN3O5/c14-9-6-8(3-4-11(9)18)7-10(16-21)13(20)15-5-1-2-12(19)17-22/h3-4,6,10,18,22H,1-2,5,7H2,(H,15,20)(H,17,19)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of Bordetella sp. (strain FB188) N-terminus His-tagged HDAH expressed in Escherichia coli BL21 (DE3)				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386451 (CHEMBL2047685) Show SMILES ONC(=O)CCCNC(=O)C(Cc1ccc(O)c(Br)c1)N=O Show InChI InChI=1S/C13H16BrN3O5/c14-9-6-8(3-4-11(9)18)7-10(16-21)13(20)15-5-1-2-12(19)17-22/h3-4,6,10,18,22H,1-2,5,7H2,(H,15,20)(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	310	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386472 (CHEMBL2047681) Show SMILES COc1ccc(CC(=NN)C(=O)NCCS)cc1Br |w:8.8| Show InChI InChI=1S/C12H16BrN3O2S/c1-18-11-3-2-8(6-9(11)13)7-10(16-14)12(17)15-4-5-19/h2-3,6,19H,4-5,7,14H2,1H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386453 (CHEMBL2047540) Show SMILES Oc1ccc(CC(N=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C11H13BrN2O3S/c12-8-5-7(1-2-10(8)15)6-9(14-17)11(16)13-3-4-18/h1-2,5,9,15,18H,3-4,6H2,(H,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386460 (CHEMBL2047544) Show SMILES CO\N=C(/Cc1ccc(O)c(Br)c1)C(=O)NCCSSCCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\OC Show InChI InChI=1S/C24H28Br2N4O6S2/c1-35-29-19(13-15-3-5-21(31)17(25)11-15)23(33)27-7-9-37-38-10-8-28-24(34)20(30-36-2)14-16-4-6-22(32)18(26)12-16/h3-6,11-12,31-32H,7-10,13-14H2,1-2H3,(H,27,33)(H,28,34)/b29-19+,30-20+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386467 (CHEMBL2047675) Show SMILES Oc1ccc(CC(=O)C(=O)NCCS)cc1Br Show InChI InChI=1S/C11H12BrNO3S/c12-8-5-7(1-2-9(8)14)6-10(15)11(16)13-3-4-17/h1-2,5,14,17H,3-4,6H2,(H,13,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241531 (CHEMBL4095517) Show SMILES NCC1CCN(CC1)C(=O)CN(Cc1ccc(Cl)cc1)c1ccc(cc1)C#N Show InChI InChI=1S/C22H25ClN4O/c23-20-5-1-19(2-6-20)15-27(21-7-3-17(13-24)4-8-21)16-22(28)26-11-9-18(14-25)10-12-26/h1-8,18H,9-12,14-16,25H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Binding potency against Vasopressin V1 receptor in rat liver cells.				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50386474 (CHEMBL2047683) Show SMILES Oc1ccc(CC(=C)C(=O)NCCS)cc1Br Show InChI InChI=1S/C12H14BrNO2S/c1-8(12(16)14-4-5-17)6-9-2-3-11(15)10(13)7-9/h2-3,7,15,17H,1,4-6H2,(H,14,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair
Lysine-specific histone demethylase 1A (Homo sapiens (Human))	BDBM50241520 (CHEMBL4064882) Show SMILES COc1cc(NS(=O)(=O)c2ccc3n(C)c(=O)c(C)cc3c2)ccc1-n1nc(C)cc1C Show InChI InChI=1S/C23H24N4O4S/c1-14-10-17-12-19(7-9-20(17)26(4)23(14)28)32(29,30)25-18-6-8-21(22(13-18)31-5)27-16(3)11-15(2)24-27/h6-13,25H,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
University of Manchester Curated by ChEMBL					Assay Description Inhibition of N-terminal truncated human LSD1 (151 to 852 residues) expressed in Escherichia coli after 30 mins using histone H3(1-21)K4(Me1) biotin ...				J Med Chem 60: 7984-7999 (2017) Article DOI: 10.1021/acs.jmedchem.7b00462 BindingDB Entry DOI: 10.7270/Q2M32XX8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50386444 (CHEMBL2047696) Show SMILES COc1cc(CC(N=O)C(=O)NCCS)cc(Br)c1OC Show InChI InChI=1S/C13H17BrN2O4S/c1-19-11-7-8(5-9(14)12(11)20-2)6-10(16-18)13(17)15-3-4-21/h5,7,10,21H,3-4,6H2,1-2H3,(H,15,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	510	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
					More data for this Ligand-Target Pair

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