Compile Data Set for Download or QSAR

Found 129 hits of kd data for polymerid = 1967,5482   

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))	BDBM50595333 (CHEMBL5197578) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1C(=O)NCCNc1ccc(c2nonc12)S(=O)(=O)N(C)C Show InChI	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	n/a	1.60	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116821 BindingDB Entry DOI: 10.7270/Q2CJ8JGG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50595334 (CHEMBL5202271) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1C(=O)NCCCNc1ccc(c2nonc12)S(=O)(=O)N(C)C Show InChI	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	n/a	2.10	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116821 BindingDB Entry DOI: 10.7270/Q2CJ8JGG
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50595335 (CHEMBL5181059) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1C(=O)NCCCCNc1ccc(c2nonc12)S(=O)(=O)N(C)C Show InChI	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	n/a	7.90	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1016/j.bmc.2022.116821 BindingDB Entry DOI: 10.7270/Q2CJ8JGG
					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))	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))	BDBM483363 (US10919902, Compound 107) Show SMILES Nc1ccc(nc1NC(=O)N1CCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C16H17FN4O/c17-12-5-3-11(4-6-12)14-8-7-13(18)15(19-14)20-16(22)21-9-1-2-10-21/h3-8H,1-2,9-10,18H2,(H,19,20,22)	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	25	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM483364 (US10919902, Compound 108) Show SMILES Nc1cnc(cc1NC(=O)N1CCCC1)-c1ccncc1 Show InChI InChI=1S/C15H17N5O/c16-12-10-18-13(11-3-5-17-6-4-11)9-14(12)19-15(21)20-7-1-2-8-20/h3-6,9-10H,1-2,7-8,16H2,(H,18,19,21)	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	25	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM483366 (US10919902, Compound 110) Show SMILES Nc1cnc(nc1NC(=O)N1CCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C15H16FN5O/c16-11-5-3-10(4-6-11)13-18-9-12(17)14(19-13)20-15(22)21-7-1-2-8-21/h3-6,9H,1-2,7-8,17H2,(H,18,19,20,22)	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	25	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM483372 (US10919902, Compound 116) Show SMILES Nc1cc(F)c(cc1NC(=O)N1CCCC1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C17H16F3N3O/c18-12-4-3-10(7-14(12)20)11-8-16(15(21)9-13(11)19)22-17(24)23-5-1-2-6-23/h3-4,7-9H,1-2,5-6,21H2,(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	25	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM483374 (US10919902, Compound 118) Show SMILES Nc1ccc(c(F)c1NC(=O)C1CCOCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H18F2N2O2/c19-13-3-1-11(2-4-13)14-5-6-15(21)17(16(14)20)22-18(23)12-7-9-24-10-8-12/h1-6,12H,7-10,21H2,(H,22,23)	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	25	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM483361 (US10919902, Compound 105) Show SMILES Nc1cnc(cc1NC(=O)N1CCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C16H17FN4O/c17-12-5-3-11(4-6-12)14-9-15(13(18)10-19-14)20-16(22)21-7-1-2-8-21/h3-6,9-10H,1-2,7-8,18H2,(H,19,20,22)	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	25	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM483377 (US10919902, Compound 121) Show SMILES Nc1cnc(nc1NC(=O)N1Cc2nccnc2C1)-c1ccc(F)cc1 Show InChI InChI=1S/C17H14FN7O/c18-11-3-1-10(2-4-11)15-22-7-12(19)16(23-15)24-17(26)25-8-13-14(9-25)21-6-5-20-13/h1-7H,8-9,19H2,(H,22,23,24,26)	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	25	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					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))	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))	BDBM413942 (US10421756, Compound 126) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CN(CC2C1)C1COC1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H25FN4O2/c23-18-4-1-14(2-5-18)15-3-6-20(24)21(7-15)25-22(28)27-10-16-8-26(9-17(16)11-27)19-12-29-13-19/h1-7,16-17,19H,8-13,24H2,(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	<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))	BDBM413945 (US10421756, Compound 129) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CN(CC2C1)C1COC1)-c1ccncc1 Show InChI InChI=1S/C21H25N5O2/c22-19-2-1-15(14-3-5-23-6-4-14)7-20(19)24-21(27)26-10-16-8-25(9-17(16)11-26)18-12-28-13-18/h1-7,16-18H,8-13,22H2,(H,24,27)	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))	BDBM413946 (US10421756, Compound 130) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C20H17ClN4O/c21-17-4-1-13(2-5-17)14-3-6-18(22)19(9-14)24-20(26)25-11-15-7-8-23-10-16(15)12-25/h1-10H,11-12,22H2,(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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413949 (US10421756, Compound 133) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccc(F)cc1F Show InChI InChI=1S/C20H16F2N4O/c21-15-2-3-16(17(22)8-15)12-1-4-18(23)19(7-12)25-20(27)26-10-13-5-6-24-9-14(13)11-26/h1-9H,10-11,23H2,(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))	BDBM413952 (US10421756, Compound 136) Show SMILES COCCN1CCC2(C1)CCN(CC2)C(=O)Nc1cc(ccc1N)-c1ccncc1 Show InChI InChI=1S/C23H31N5O2/c1-30-15-14-27-11-6-23(17-27)7-12-28(13-8-23)22(29)26-21-16-19(2-3-20(21)24)18-4-9-25-10-5-18/h2-5,9-10,16H,6-8,11-15,17,24H2,1H3,(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	<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))	BDBM413955 (US10421756, Compound 139) Show SMILES COc1ccc(cc1)-c1ccc(N)c(NC(=O)N2Cc3ccncc3C2)c1 Show InChI InChI=1S/C21H20N4O2/c1-27-18-5-2-14(3-6-18)15-4-7-19(22)20(10-15)24-21(26)25-12-16-8-9-23-11-17(16)13-25/h2-11H,12-13,22H2,1H3,(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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413959 (US10421756, Compound 143) Show SMILES Nc1ccc(cc1NC(=O)N1CCC2(CCN(CCF)C2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H28F2N4O/c24-10-14-28-11-7-23(16-28)8-12-29(13-9-23)22(30)27-21-15-18(3-6-20(21)26)17-1-4-19(25)5-2-17/h1-6,15H,7-14,16,26H2,(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	<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))	BDBM413963 (US10421756, Compound 147) Show SMILES Nc1ccc(cc1NC(=O)c1nc2CCNCc2s1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4OS/c20-13-4-1-11(2-5-13)12-3-6-14(21)16(9-12)23-18(25)19-24-15-7-8-22-10-17(15)26-19/h1-6,9,22H,7-8,10,21H2,(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	<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))	BDBM413967 (US10421756, Compound 151) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccoc1 Show InChI InChI=1S/C18H16N4O2/c19-16-2-1-12(14-4-6-24-11-14)7-17(16)21-18(23)22-9-13-3-5-20-8-15(13)10-22/h1-8,11H,9-10,19H2,(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	<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))	BDBM413968 (US10421756, Compound 152) Show SMILES CNC(=O)N1CCc2nc(sc2C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN5O2S/c1-24-21(29)27-9-8-16-18(11-27)30-20(26-16)19(28)25-17-10-13(4-7-15(17)23)12-2-5-14(22)6-3-12/h2-7,10H,8-9,11,23H2,1H3,(H,24,29)(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	<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))	BDBM413972 (US10421756, Compound 156) Show SMILES CC(C)OC(=O)N1CC2CN(CC2C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C23H27FN4O3/c1-14(2)31-23(30)28-12-17-10-27(11-18(17)13-28)22(29)26-21-9-16(5-8-20(21)25)15-3-6-19(24)7-4-15/h3-9,14,17-18H,10-13,25H2,1-2H3,(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	<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))	BDBM413973 (US10421756, Compound 157) Show SMILES CC(C)COC(=O)N1CC2CN(CC2C1)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C24H29FN4O3/c1-15(2)14-32-24(31)29-12-18-10-28(11-19(18)13-29)23(30)27-22-9-17(5-8-21(22)26)16-3-6-20(25)7-4-16/h3-9,15,18-19H,10-14,26H2,1-2H3,(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	<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))	BDBM413974 (US10421756, Compound 158) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CN(CC2C1)C(=O)OC1CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O3/c24-18-4-1-14(2-5-18)15-3-8-20(25)21(9-15)26-22(29)27-10-16-12-28(13-17(16)11-27)23(30)31-19-6-7-19/h1-5,8-9,16-17,19H,6-7,10-13,25H2,(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	<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))	BDBM413975 (US10421756, Compound 159) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CN(CC2C1)C(=O)OC1CCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C24H27FN4O3/c25-19-7-4-15(5-8-19)16-6-9-21(26)22(10-16)27-23(30)28-11-17-13-29(14-18(17)12-28)24(31)32-20-2-1-3-20/h4-10,17-18,20H,1-3,11-14,26H2,(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	<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))	BDBM413977 (US10421756, Compound 161) Show SMILES CC(C)(C)OC(=O)N1CCC2(C1)CCN(CC2)C(=O)Nc1cc(ccc1N)-c1ccc(F)cc1 Show InChI InChI=1S/C26H33FN4O3/c1-25(2,3)34-24(33)31-15-12-26(17-31)10-13-30(14-11-26)23(32)29-22-16-19(6-9-21(22)28)18-4-7-20(27)8-5-18/h4-9,16H,10-15,17,28H2,1-3H3,(H,29,32)	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))	BDBM413978 (US10421756, Compound 162) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccc(OC(F)F)cc1 Show InChI InChI=1S/C21H18F2N4O2/c22-20(23)29-17-4-1-13(2-5-17)14-3-6-18(24)19(9-14)26-21(28)27-11-15-7-8-25-10-16(15)12-27/h1-10,20H,11-12,24H2,(H,26,28)	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	<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))	BDBM413984 (US10421756, Compound 168) Show SMILES Nc1ccc(cc1NC(=O)N1Cc2ccncc2C1)-c1ccco1 Show InChI InChI=1S/C18H16N4O2/c19-15-4-3-12(17-2-1-7-24-17)8-16(15)21-18(23)22-10-13-5-6-20-9-14(13)11-22/h1-9H,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	<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))	BDBM413989 (US10421756, Compound 173) Show SMILES Nc1ccc(cc1NC(=O)N1CCC2(CCOC2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H24FN3O2/c22-17-4-1-15(2-5-17)16-3-6-18(23)19(13-16)24-20(26)25-10-7-21(8-11-25)9-12-27-14-21/h1-6,13H,7-12,14,23H2,(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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM413990 (US10421756, Compound 174) Show SMILES Nc1ccc(cc1NC(=O)c1nc2CNCCc2s1)-c1ccncc1 Show InChI InChI=1S/C18H17N5OS/c19-13-2-1-12(11-3-6-20-7-4-11)9-14(13)22-17(24)18-23-15-10-21-8-5-16(15)25-18/h1-4,6-7,9,21H,5,8,10,19H2,(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	<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))	BDBM413991 (US10421756, Compound 175) Show SMILES Nc1ccc(cc1NC(=O)c1nc2CNCCc2s1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H17FN4OS/c20-13-4-1-11(2-5-13)12-3-6-14(21)15(9-12)23-18(25)19-24-16-10-22-8-7-17(16)26-19/h1-6,9,22H,7-8,10,21H2,(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	<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))	BDBM413941 (US10421756, Compound 125) Show SMILES Nc1ccc(cc1NC(=O)N1CC2CN(CC2C1)C(=O)C1CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H25FN4O2/c24-19-6-3-14(4-7-19)16-5-8-20(25)21(9-16)26-23(30)28-12-17-10-27(11-18(17)13-28)22(29)15-1-2-15/h3-9,15,17-18H,1-2,10-13,25H2,(H,26,30)	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	<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))	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
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))	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))	BDBM413943 (US10421756, Compound 127) Show SMILES Nc1ccc(cc1NC(=O)N1CCC2(COC2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H22FN3O2/c21-16-4-1-14(2-5-16)15-3-6-17(22)18(11-15)23-19(25)24-9-7-20(8-10-24)12-26-13-20/h1-6,11H,7-10,12-13,22H2,(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))	BDBM413944 (US10421756, Compound 128) Show SMILES Nc1ccc(cc1NC(=O)c1cn2CC(CCc2n1)C#N)-c1ccc(F)cc1 Show InChI InChI=1S/C21H18FN5O/c22-16-5-2-14(3-6-16)15-4-7-17(24)18(9-15)26-21(28)19-12-27-11-13(10-23)1-8-20(27)25-19/h2-7,9,12-13H,1,8,11,24H2,(H,26,28)	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	<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))	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))	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))	BDBM483375 (US10919902, Compound 119) Show SMILES Nc1cc(F)c(cc1NC(=O)N1Cc2nccnc2C1)-c1ccc(F)cc1 Show InChI InChI=1S/C19H15F2N5O/c20-12-3-1-11(2-4-12)13-7-16(15(22)8-14(13)21)25-19(27)26-9-17-18(10-26)24-6-5-23-17/h1-8H,9-10,22H2,(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	275	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM483376 (US10919902, Compound 120) Show SMILES Nc1ccc(nc1NC(=O)N1Cc2nccnc2C1)-c1ccc(F)cc1 Show InChI InChI=1S/C18H15FN6O/c19-12-3-1-11(2-4-12)14-6-5-13(20)17(23-14)24-18(26)25-9-15-16(10-25)22-8-7-21-15/h1-8H,9-10,20H2,(H,23,24,26)	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	275	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM482854 (US10919902, Compound 100) Show SMILES Nc1cc(F)c(cc1NC(=O)N1Cc2ccncc2C1)-c1ccc(F)cc1 Show InChI InChI=1S/C20H16F2N4O/c21-15-3-1-12(2-4-15)16-7-19(18(23)8-17(16)22)25-20(27)26-10-13-5-6-24-9-14(13)11-26/h1-9H,10-11,23H2,(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	275	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM483378 (US10919902, Compound 122) Show SMILES Nc1cn(nc1NC(=O)N1Cc2ccncc2C1)-c1ccccc1 Show InChI InChI=1S/C17H16N6O/c18-15-11-23(14-4-2-1-3-5-14)21-16(15)20-17(24)22-9-12-6-7-19-8-13(12)10-22/h1-8,11H,9-10,18H2,(H,20,21,24)	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	275	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM483368 (US10919902, Compound 112) Show SMILES Nc1ccc(c(F)c1NC(=O)N1CCCC1)-c1ccc(F)cc1 Show InChI InChI=1S/C17H17F2N3O/c18-12-5-3-11(4-6-12)13-7-8-14(20)16(15(13)19)21-17(23)22-9-1-2-10-22/h3-8H,1-2,9-10,20H2,(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	275	n/a	n/a	n/a	n/a	n/a
Alkermes, 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 US10919902 (2021) BindingDB Entry DOI: 10.7270/Q26H4MHB
					More data for this Ligand-Target Pair
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))	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

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