Compile Data Set for Download or QSAR

Found 129 hits of kd for UniProtKB: Q13547   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	282	n/a	n/a	n/a	8.0	n/a
Genentech, Inc.					Assay Description Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HD...				J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19423 (HDAC inhibitor, Compound 1 | N-[2-amino-5-(thiophe...) Show SMILES CC(=O)Nc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C19H17N3O2S/c1-12(23)21-15-7-4-13(5-8-15)19(24)22-17-11-14(6-9-16(17)20)18-3-2-10-25-18/h2-11H,20H2,1H3,(H,21,23)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	38.1	n/a	n/a	n/a	8.0	n/a
Genentech, Inc.					Assay Description Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HD...				J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50276074 (CHEMBL470791 | HDAC inhibitor, Compound 2 | N-(2-a...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC2=O)CC1)-c1cccs1 Show InChI InChI=1S/C23H23N5O2S/c24-17-5-3-15(19-2-1-11-31-19)12-18(17)27-21(29)16-4-6-20(25-13-16)28-9-7-23(8-10-28)14-26-22(23)30/h1-6,11-13H,7-10,14,24H2,(H,26,30)(H,27,29)	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	n/a	24.6	n/a	n/a	n/a	8.0	n/a
Genentech, Inc.					Assay Description Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HD...				J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ
					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	n/a	12.1	n/a	n/a	n/a	8.0	n/a
Genentech, Inc.					Assay Description Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HD...				J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ
					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	n/a	163	n/a	n/a	n/a	8.0	n/a
Genentech, Inc.					Assay Description Specifically, the experiments were conducted in black 384-well polypropylene plates (Corning Glass) in a 15-ul reaction volume consisting of 11 nM HD...				J Biol Chem 288: 26926-43 (2013) Article DOI: 10.1074/jbc.M113.490706 BindingDB Entry DOI: 10.7270/Q2KK99MZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361248 (CHEMBL1934890) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1 Show InChI InChI=1S/C14H8F12N2O3/c15-9(16,7(29)27-6-4-2-1-3-5-6)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(30)28-31/h1-5,31H,(H,27,29)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361249 (CHEMBL1934891) Show SMILES Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1 Show InChI InChI=1S/C15H10F12N2O3/c1-6-2-4-7(5-3-6)28-8(30)10(16,17)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(31)29-32/h2-5,32H,1H3,(H,28,30)(H,29,31)	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	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361250 (CHEMBL1934892) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C14H7ClF12N2O3/c15-5-1-3-6(4-2-5)28-7(30)9(16,17)11(20,21)13(24,25)14(26,27)12(22,23)10(18,19)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)	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	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361251 (CHEMBL1934893) Show SMILES CC(=O)Nc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1 Show InChI InChI=1S/C16H11F12N3O4/c1-6(32)29-7-2-4-8(5-3-7)30-9(33)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(34)31-35/h2-5,35H,1H3,(H,29,32)(H,30,33)(H,31,34)	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	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361252 (CHEMBL1934894) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)C#N Show InChI InChI=1S/C15H7F12N3O3/c16-10(17,8(31)29-7-3-1-6(5-28)2-4-7)12(20,21)14(24,25)15(26,27)13(22,23)11(18,19)9(32)30-33/h1-4,33H,(H,29,31)(H,30,32)	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	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361253 (CHEMBL1934895) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(I)cc1 Show InChI InChI=1S/C14H7F12IN2O3/c15-9(16,7(30)28-6-3-1-5(27)2-4-6)11(19,20)13(23,24)14(25,26)12(21,22)10(17,18)8(31)29-32/h1-4,32H,(H,28,30)(H,29,31)	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	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361254 (CHEMBL1934896) Show SMILES Cc1ccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)cc1C Show InChI InChI=1S/C16H12F12N2O3/c1-6-3-4-8(5-7(6)2)29-9(31)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(32)30-33/h3-5,33H,1-2H3,(H,29,31)(H,30,32)	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	n/a	8.80E+3	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361255 (CHEMBL1934897) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C20H12F12N2O3/c21-15(22,13(35)33-12-8-6-11(7-9-12)10-4-2-1-3-5-10)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-37/h1-9,37H,(H,33,35)(H,34,36)	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	n/a	3.10E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361256 (CHEMBL1934898) Show SMILES CCc1cccc(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)NO)c1 Show InChI InChI=1S/C16H12F12N2O3/c1-2-7-4-3-5-8(6-7)29-9(31)11(17,18)13(21,22)15(25,26)16(27,28)14(23,24)12(19,20)10(32)30-33/h3-6,33H,2H2,1H3,(H,29,31)(H,30,32)	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	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361257 (CHEMBL1934899) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1cn(nn1)-c1ccccc1 Show InChI InChI=1S/C22H13F12N5O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(41)37-42)15(40)35-12-8-6-11(7-9-12)14-10-39(38-36-14)13-4-2-1-3-5-13/h1-10,42H,(H,35,40)(H,37,41)	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	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361258 (CHEMBL1934900) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccc3cccc4ccc1c2c34 Show InChI InChI=1S/C24H12F12N2O3/c25-19(26,21(29,30)23(33,34)24(35,36)22(31,32)20(27,28)18(40)38-41)17(39)37-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,41H,(H,37,39)(H,38,40)	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	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361259 (CHEMBL1934901) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C17H9F12N3O3S/c18-12(19,9(33)31-11-30-8(6-36-11)7-4-2-1-3-5-7)14(22,23)16(26,27)17(28,29)15(24,25)13(20,21)10(34)32-35/h1-6,35H,(H,32,34)(H,30,31,33)	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	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361260 (CHEMBL1934902) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc(cc1)-c1cnnn1-c1ccccc1 Show InChI InChI=1S/C22H13F12N5O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(41)37-42)15(40)36-12-8-6-11(7-9-12)14-10-35-38-39(14)13-4-2-1-3-5-13/h1-10,42H,(H,36,40)(H,37,41)	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	n/a	6.60E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361261 (CHEMBL1934903) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc2ccccc12 Show InChI InChI=1S/C18H10F12N2O3/c19-13(20,11(33)31-10-7-3-5-8-4-1-2-6-9(8)10)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)12(34)32-35/h1-7,35H,(H,31,33)(H,32,34)	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	n/a	2.90E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361262 (CHEMBL1934904) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C20H12F12N2O3/c21-15(22,13(35)33-12-8-4-7-11(9-12)10-5-2-1-3-6-10)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-37/h1-9,37H,(H,33,35)(H,34,36)	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	n/a	3.00E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361263 (CHEMBL1934905) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2ccccc2c1 Show InChI InChI=1S/C18H10F12N2O3/c19-13(20,11(33)31-10-6-5-8-3-1-2-4-9(8)7-10)15(23,24)17(27,28)18(29,30)16(25,26)14(21,22)12(34)32-35/h1-7,35H,(H,31,33)(H,32,34)	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	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361264 (CHEMBL1934906) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1-c1ccccc1 Show InChI InChI=1S/C20H12F12N2O3/c21-15(22,13(35)33-12-9-5-4-8-11(12)10-6-2-1-3-7-10)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-37/h1-9,37H,(H,33,35)(H,34,36)	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	n/a	4.90E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361265 (CHEMBL1934907) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccc2cc3ccccc3cc2c1 Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9,39H,(H,35,37)(H,36,38)	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	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361266 (CHEMBL1934908) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cc2ccccc2c2ccccc12 Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9,39H,(H,35,37)(H,36,38)	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	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361267 (CHEMBL1934909) Show SMILES ONC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1cccc2cc3ccccc3cc12 Show InChI InChI=1S/C22H12F12N2O3/c23-17(24,19(27,28)21(31,32)22(33,34)20(29,30)18(25,26)16(38)36-39)15(37)35-14-7-3-6-12-8-10-4-1-2-5-11(10)9-13(12)14/h1-9,39H,(H,35,37)(H,36,38)	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	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361268 (CHEMBL1934910) Show SMILES FC(F)(C(=O)Nc1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(=O)Nc1ccccc1 Show InChI InChI=1S/C20H12F12N2O2/c21-15(22,13(35)33-11-7-3-1-4-8-11)17(25,26)19(29,30)20(31,32)18(27,28)16(23,24)14(36)34-12-9-5-2-6-10-12/h1-10H,(H,33,35)(H,34,36)	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	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					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	n/a	40	n/a	n/a	n/a	n/a	n/a
University of Applied Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 using Boc-L-Lys(acetyl)-MCA as substrate by fluorogenic enzymatic assay				Bioorg Med Chem 20: 985-95 (2012) Article DOI: 10.1016/j.bmc.2011.11.041 BindingDB Entry DOI: 10.7270/Q2QJ7HRC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413916 (US10421756, Compound 100) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2cncnc2C1)-c1ccncc1 Show InChI InChI=1S/C18H16N6O/c19-15-2-1-13(12-3-5-20-6-4-12)7-16(15)23-18(25)24-9-14-8-21-11-22-17(14)10-24/h1-8,11H,9-10,19H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413917 (US10421756, Compound 101) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2nccnc2C1)-c1ccncc1 Show InChI InChI=1S/C18H16N6O/c19-14-2-1-13(12-3-5-20-6-4-12)9-15(14)23-18(25)24-10-16-17(11-24)22-8-7-21-16/h1-9H,10-11,19H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413918 (US10421756, Compound 102) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccncc1 Show InChI InChI=1S/C19H17N5O/c20-17-2-1-14(13-3-6-21-7-4-13)9-18(17)23-19(25)24-11-15-5-8-22-10-16(15)12-24/h1-10H,11-12,20H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413919 (US10421756, Compound 103) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccncn1 Show InChI InChI=1S/C18H16N6O/c19-15-2-1-12(16-4-6-21-11-22-16)7-17(15)23-18(25)24-9-13-3-5-20-8-14(13)10-24/h1-8,11H,9-10,19H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413920 (US10421756, Compound 104) Show SMILES CC(C)(C)OC(=O)N1CC2CC1CN2C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C22H27N5O3/c1-22(2,3)30-21(29)27-13-16-11-17(27)12-26(16)20(28)25-19-10-15(4-5-18(19)23)14-6-8-24-9-7-14/h4-10,16-17H,11-13,23H2,1-3H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413921 (US10421756, Compound 105) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)O2)-c1ccncc1 Show InChI InChI=1S/C18H20N4O2/c19-16-4-1-13(12-5-7-20-8-6-12)9-17(16)21-18(23)22-10-14-2-3-15(11-22)24-14/h1,4-9,14-15H,2-3,10-11,19H2,(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413922 (US10421756, Compound 106 | US10421756, Compound 11...) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:5:7:9.10:13.14.12| Show InChI InChI=1S/C23H29N5O3/c1-23(2,3)31-22(30)28-17-5-6-18(28)14-27(13-17)21(29)26-20-12-16(4-7-19(20)24)15-8-10-25-11-9-15/h4,7-12,17-18H,5-6,13-14,24H2,1-3H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413923 (US10421756, Compound 107 | US10421756, Compound 10...) Show SMILES CC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:1:3:5.6:9.10.8| Show InChI InChI=1S/C20H23N5O2/c1-13(26)25-16-3-4-17(25)12-24(11-16)20(27)23-19-10-15(2-5-18(19)21)14-6-8-22-9-7-14/h2,5-10,16-17H,3-4,11-12,21H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413924 (US10421756, Compound 108) Show SMILES CC(=O)N1CC2CC1CN2C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C19H21N5O2/c1-12(25)23-10-16-9-15(23)11-24(16)19(26)22-18-8-14(2-3-17(18)20)13-4-6-21-7-5-13/h2-8,15-16H,9-11,20H2,1H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413923 (US10421756, Compound 107 | US10421756, Compound 10...) Show SMILES CC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:1:3:5.6:9.10.8| Show InChI InChI=1S/C20H23N5O2/c1-13(26)25-16-3-4-17(25)12-24(11-16)20(27)23-19-10-15(2-5-18(19)21)14-6-8-22-9-7-14/h2,5-10,16-17H,3-4,11-12,21H2,1H3,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413922 (US10421756, Compound 106 | US10421756, Compound 11...) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccncc1 |TLB:5:7:9.10:13.14.12| Show InChI InChI=1S/C23H29N5O3/c1-23(2,3)31-22(30)28-17-5-6-18(28)14-27(13-17)21(29)26-20-12-16(4-7-19(20)24)15-8-10-25-11-9-15/h4,7-12,17-18H,5-6,13-14,24H2,1-3H3,(H,26,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413927 (US10421756, Compound 111) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)O2)-c1ccc(F)cc1 Show InChI InChI=1S/C19H20FN3O2/c20-14-4-1-12(2-5-14)13-3-8-17(21)18(9-13)22-19(24)23-10-15-6-7-16(11-23)25-15/h1-5,8-9,15-16H,6-7,10-11,21H2,(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413928 (US10421756, Compound 112) Show SMILES CC(C)(C)OC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 |TLB:5:7:9.10:13.14.12| Show InChI InChI=1S/C24H29FN4O3/c1-24(2,3)32-23(31)29-18-9-10-19(29)14-28(13-18)22(30)27-21-12-16(6-11-20(21)26)15-4-7-17(25)8-5-15/h4-8,11-12,18-19H,9-10,13-14,26H2,1-3H3,(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413929 (US10421756, Compound 113) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)N2)-c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN4O/c20-14-4-1-12(2-5-14)13-3-8-17(21)18(9-13)23-19(25)24-10-15-6-7-16(11-24)22-15/h1-5,8-9,15-16,22H,6-7,10-11,21H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413930 (US10421756, Compound 114) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CNCC2C1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H21FN4O/c20-16-4-1-12(2-5-16)13-3-6-17(21)18(7-13)23-19(25)24-10-14-8-22-9-15(14)11-24/h1-7,14-15,22H,8-11,21H2,(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413931 (US10421756, Compound 115) Show SMILES CN1CC2CN(CC2C1=O)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C19H21N5O2/c1-23-9-14-10-24(11-15(14)18(23)25)19(26)22-17-8-13(2-3-16(17)20)12-4-6-21-7-5-12/h2-8,14-15H,9-11,20H2,1H3,(H,22,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	2.75E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413932 (US10421756, Compound 116) Show SMILES CC(=O)N1C2CCC1CN(C2)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 |TLB:1:3:5.6:9.10.8| Show InChI InChI=1S/C21H23FN4O2/c1-13(27)26-17-7-8-18(26)12-25(11-17)21(28)24-20-10-15(4-9-19(20)23)14-2-5-16(22)6-3-14/h2-6,9-10,17-18H,7-8,11-12,23H2,1H3,(H,24,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413933 (US10421756, Compound 117) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CCC(C1)N2C=O)-c1ccc(F)cc1 |TLB:18:17:13.14:10.11.16| Show InChI InChI=1S/C20H21FN4O2/c21-15-4-1-13(2-5-15)14-3-8-18(22)19(9-14)23-20(27)24-10-16-6-7-17(11-24)25(16)12-26/h1-5,8-9,12,16-17H,6-7,10-11,22H2,(H,23,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	>5.00E+3	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413934 (US10421756, Compound 118) Show SMILES Nc1ccc(cc1NC(=O)N1CCC2(CCNC2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H25FN4O/c22-17-4-1-15(2-5-17)16-3-6-18(23)19(13-16)25-20(27)26-11-8-21(9-12-26)7-10-24-14-21/h1-6,13,24H,7-12,14,23H2,(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413935 (US10421756, Compound 119) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2nccnc2C1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H16FN5O/c20-14-4-1-12(2-5-14)13-3-6-15(21)16(9-13)24-19(26)25-10-17-18(11-25)23-8-7-22-17/h1-9H,10-11,21H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413936 (US10421756, Compound 120) Show SMILES CNC(=O)N1CC2CN(CC2C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN5O2/c1-24-20(28)26-9-15-11-27(12-16(15)10-26)21(29)25-19-8-14(4-7-18(19)23)13-2-5-17(22)6-3-13/h2-8,15-16H,9-12,23H2,1H3,(H,24,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413937 (US10421756, Compound 121) Show SMILES NCC(=O)N1CC2CN(CC2C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN5O2/c22-17-4-1-13(2-5-17)14-3-6-18(24)19(7-14)25-21(29)27-11-15-9-26(20(28)8-23)10-16(15)12-27/h1-7,15-16H,8-12,23-24H2,(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413938 (US10421756, Compound 122) Show SMILES Nc1ccc(cc1NC(=O)c1cn2CCNCc2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H18FN5O/c20-14-4-1-12(2-5-14)13-3-6-15(21)16(9-13)24-19(26)17-11-25-8-7-22-10-18(25)23-17/h1-6,9,11,22H,7-8,10,21H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a
Rodin Therapeutics, Inc. US Patent					Assay Description HDAC2 containing a C-terminal HIS-Tag (Proteros) and fluorescently-labeled anti-HIS-antibody are diluted in one vial in assay buffer 50 mM Tris, pH 8...				US Patent US10421756 (2019) BindingDB Entry DOI: 10.7270/Q2PK0JGK
					More data for this Ligand-Target Pair

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