Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'heidebrecht' and Initial = 'rw'   

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))	BDBM50278466 (CHEMBL470421 | pyridin-3-ylmethyl 4-(2-amino-5-(th...) Show SMILES CP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCc1cccnc1 Show InChI InChI=1S/C25H24N3O3PS/c1-32(30,31-16-19-4-2-12-27-15-19)17-18-6-8-20(9-7-18)25(29)28-23-14-21(10-11-22(23)26)24-5-3-13-33-24/h2-15H,16-17,26H2,1H3,(H,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172774 (US9096559, 4) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccsc1 Show InChI InChI=1S/C25H22N4O3S/c26-22-8-7-20(21-9-11-33-16-21)12-23(22)29-24(30)19-5-3-17(4-6-19)14-28-25(31)32-15-18-2-1-10-27-13-18/h1-13,16H,14-15,26H2,(H,28,31)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229193 (CHEMBL400721 | US9096559, 17 | methyl 4-((2-amino-...) Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H19N3O3S/c1-26-20(25)22-12-13-4-6-14(7-5-13)19(24)23-17-11-15(8-9-16(17)21)18-3-2-10-27-18/h2-11H,12,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278467 (CHEMBL511473 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...) Show SMILES CCOP(=O)(CC)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H25N2O3PS/c1-3-27-28(26,4-2)15-16-7-9-17(10-8-16)22(25)24-20-14-18(11-12-19(20)23)21-6-5-13-29-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278377 (CHEMBL472636 | methyl 4-(2-amino-5-(thiophen-2-yl)...) Show SMILES CCP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OC Show InChI InChI=1S/C21H23N2O3PS/c1-3-27(25,26-2)14-15-6-8-16(9-7-15)21(24)23-19-13-17(10-11-18(19)22)20-5-4-12-28-20/h4-13H,3,14,22H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278515 (CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...) Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229204 (CHEMBL253870 | US9096559, 14b | [4-(4-amino-biphen...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2ccccn2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-14-13-22(20-6-2-1-3-7-20)16-25(24)31-26(32)21-11-9-19(10-12-21)17-30-27(33)34-18-23-8-4-5-15-29-23/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278420 (CHEMBL513536 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CCP(=O)(CC)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H25N2O2PS/c1-3-27(26,4-2)15-16-7-9-17(10-8-16)22(25)24-20-14-18(11-12-19(20)23)21-6-5-13-28-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172896 (US9096559, 123) Show SMILES CC(=O)N(Cc1cn(C)nn1)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C24H24N6O2S/c1-16(31)30(15-20-14-29(2)28-27-20)13-17-5-7-18(8-6-17)24(32)26-22-12-19(9-10-21(22)25)23-4-3-11-33-23/h3-12,14H,13,15,25H2,1-2H3,(H,26,32)	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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27762 (N-(2-hydroxy-5-phenylphenyl)-4-[(pyridin-4-ylamino...) Show SMILES Oc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1 Show InChI InChI=1S/C25H21N3O2/c29-24-11-10-21(19-4-2-1-3-5-19)16-23(24)28-25(30)20-8-6-18(7-9-20)17-27-22-12-14-26-15-13-22/h1-16,29H,17H2,(H,26,27)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	9.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172796 (US9096559, 27) Show SMILES CC(C)C(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C24H25N3O2/c1-16(2)23(28)26-15-17-8-10-19(11-9-17)24(29)27-22-14-20(12-13-21(22)25)18-6-4-3-5-7-18/h3-14,16H,15,25H2,1-2H3,(H,26,28)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229195 (CHEMBL398617 | N-(4-amino-biphenyl-3-yl)-4-(propio...) Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O2/c1-2-22(27)25-15-16-8-10-18(11-9-16)23(28)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229201 (CHEMBL253226 | N-(4-amino-biphenyl-3-yl)-4-(butyry...) Show SMILES CCCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C24H25N3O2/c1-2-6-23(28)26-16-17-9-11-19(12-10-17)24(29)27-22-15-20(13-14-21(22)25)18-7-4-3-5-8-18/h3-5,7-15H,2,6,16,25H2,1H3,(H,26,28)(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	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172815 (US9096559, 49) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2cccnc2)cc1)-c1cccs1 Show InChI InChI=1S/C25H22N4O2S/c26-21-10-9-20(23-4-2-12-32-23)14-22(21)29-25(31)19-7-5-17(6-8-19)16-28-24(30)13-18-3-1-11-27-15-18/h1-12,14-15H,13,16,26H2,(H,28,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229189 (CHEMBL253868 | US9096559, 2a | [4-(4-amino-bipheny...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)31-26(32)22-10-8-19(9-11-22)17-30-27(33)34-18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,33)(H,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27770 (N-(2-amino-5-phenylphenyl)-4-{[methyl(pyridin-4-yl...) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C26H24N4O/c1-30(23-13-15-28-16-14-23)18-19-7-9-21(10-8-19)26(31)29-25-17-22(11-12-24(25)27)20-5-3-2-4-6-20/h2-17H,18,27H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27769 (N-(2-amino-5-phenylphenyl)-4-[(pyridin-4-ylamino)m...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNc2ccncc2)cc1)-c1ccccc1 Show InChI InChI=1S/C25H22N4O/c26-23-11-10-21(19-4-2-1-3-5-19)16-24(23)29-25(30)20-8-6-18(7-9-20)17-28-22-12-14-27-15-13-22/h1-16H,17,26H2,(H,27,28)(H,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229192 (CHEMBL398420 | US9096559, 14f | US9096559, 9 | [4-...) Show SMILES COC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C22H21N3O3/c1-28-22(27)24-14-15-7-9-17(10-8-15)21(26)25-20-13-18(11-12-19(20)23)16-5-3-2-4-6-16/h2-13H,14,23H2,1H3,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172804 (US9096559, 36) Show SMILES CC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H19N3O2S/c1-13(24)22-12-14-4-6-15(7-5-14)20(25)23-18-11-16(8-9-17(18)21)19-3-2-10-26-19/h2-11H,12,21H2,1H3,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172809 (US9096559, 43) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)C2CCC2)cc1)-c1cccs1 Show InChI InChI=1S/C23H23N3O2S/c24-19-11-10-18(21-5-2-12-29-21)13-20(19)26-23(28)17-8-6-15(7-9-17)14-25-22(27)16-3-1-4-16/h2,5-13,16H,1,3-4,14,24H2,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229190 (CHEMBL253869 | N-(4-amino-biphenyl-3-yl)-4-[(3-pyr...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(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	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278470 (CHEMBL513876 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CC(C)P(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)C(C)C Show InChI InChI=1S/C24H29N2O2PS/c1-16(2)29(28,17(3)4)15-18-7-9-19(10-8-18)24(27)26-22-14-20(11-12-21(22)25)23-6-5-13-30-23/h5-14,16-17H,15,25H2,1-4H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229197 (CHEMBL399494 | US9096559, 16 | ethyl 4-((2-amino-5...) Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O3S/c1-2-27-21(26)23-13-14-5-7-15(8-6-14)20(25)24-18-12-16(9-10-17(18)22)19-4-3-11-28-19/h3-12H,2,13,22H2,1H3,(H,23,26)(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172819 (US9096559, 54) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccccn2)cc1)-c1cccs1 Show InChI InChI=1S/C25H22N4O2S/c26-21-11-10-19(23-5-3-13-32-23)14-22(21)29-25(31)18-8-6-17(7-9-18)16-28-24(30)15-20-4-1-2-12-27-20/h1-14H,15-16,26H2,(H,28,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229200 (CHEMBL251817 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CCCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H23N3O2S/c1-2-4-21(26)24-14-15-6-8-16(9-7-15)22(27)25-19-13-17(10-11-18(19)23)20-5-3-12-28-20/h3,5-13H,2,4,14,23H2,1H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229194 (CHEMBL251819 | N-(2-amino-5-(thiophen-2-yl)phenyl)...) Show SMILES CCC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H21N3O2S/c1-2-20(25)23-13-14-5-7-15(8-6-14)21(26)24-18-12-16(9-10-17(18)22)19-4-3-11-27-19/h3-12H,2,13,22H2,1H3,(H,23,25)(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172863 (US9096559, 103) Show SMILES CN(Cc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C26H23N3O2/c1-29(23-13-15-27-16-14-23)18-19-7-9-21(10-8-19)26(31)28-24-17-22(11-12-25(24)30)20-5-3-2-4-6-20/h2-17,30H,18H2,1H3,(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229202 (CHEMBL400046 | US9096559, 10 | US9096559, 14e | [4...) Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O3/c1-2-29-23(28)25-15-16-8-10-18(11-9-16)22(27)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27771 (N-(2-amino-5-phenylphenyl)-4-({[(1,5-dimethyl-1H-p...) Show SMILES Cc1c(CNCc2ccc(cc2)C(=O)Nc2cc(ccc2N)-c2ccccc2)cnn1C Show InChI InChI=1S/C26H27N5O/c1-18-23(17-29-31(18)2)16-28-15-19-8-10-21(11-9-19)26(32)30-25-14-22(12-13-24(25)27)20-6-4-3-5-7-20/h3-14,17,28H,15-16,27H2,1-2H3,(H,30,32)	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	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172813 (US9096559, 48) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)c2ccccc2)cc1)-c1cccs1 Show InChI InChI=1S/C25H21N3O2S/c26-21-13-12-20(23-7-4-14-31-23)15-22(21)28-25(30)19-10-8-17(9-11-19)16-27-24(29)18-5-2-1-3-6-18/h1-15H,16,26H2,(H,27,29)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172821 (US9096559, 56) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1cccs1 Show InChI InChI=1S/C26H24N4O2S/c27-22-11-10-21(24-4-2-14-33-24)15-23(22)30-26(32)20-8-5-19(6-9-20)17-29-25(31)12-7-18-3-1-13-28-16-18/h1-6,8-11,13-16H,7,12,17,27H2,(H,29,31)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278251 (CHEMBL471031 | diethyl 4-(2-amino-5-(thiophen-2-yl...) Show SMILES CCOP(=O)(Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC Show InChI InChI=1S/C22H25N2O4PS/c1-3-27-29(26,28-4-2)15-16-7-9-17(10-8-16)22(25)24-20-14-18(11-12-19(20)23)21-6-5-13-30-21/h5-14H,3-4,15,23H2,1-2H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50278515 (CHEMBL470225 | diethyl(4-(2-amino-5-(thiophen-2-yl...) Show SMILES CCOP(=O)(CNCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1)OCC Show InChI InChI=1S/C23H28N3O4PS/c1-3-29-31(28,30-4-2)16-25-15-17-7-9-18(10-8-17)23(27)26-21-14-19(11-12-20(21)24)22-6-5-13-32-22/h5-14,25H,3-4,15-16,24H2,1-2H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC2				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172800 (US9096559, 31) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C29H27N3O2/c30-26-17-16-25(23-9-5-2-6-10-23)19-27(26)32-29(34)24-14-11-22(12-15-24)20-31-28(33)18-13-21-7-3-1-4-8-21/h1-12,14-17,19H,13,18,20,30H2,(H,31,33)(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172798 (US9096559, 29) Show SMILES CC(C)CC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C25H27N3O2/c1-17(2)14-24(29)27-16-18-8-10-20(11-9-18)25(30)28-23-15-21(12-13-22(23)26)19-6-4-3-5-7-19/h3-13,15,17H,14,16,26H2,1-2H3,(H,27,29)(H,28,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278308 (CHEMBL469557 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...) Show SMILES CCOP(C)(=O)c1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C20H21N2O3PS/c1-3-25-26(2,24)16-9-6-14(7-10-16)20(23)22-18-13-15(8-11-17(18)21)19-5-4-12-27-19/h4-13H,3,21H2,1-2H3,(H,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172795 (US9096559, 26) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)C2CC2)cc1)-c1ccccc1 Show InChI InChI=1S/C24H23N3O2/c25-21-13-12-20(17-4-2-1-3-5-17)14-22(21)27-24(29)19-8-6-16(7-9-19)15-26-23(28)18-10-11-18/h1-9,12-14,18H,10-11,15,25H2,(H,26,28)(H,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172805 (US9096559, 39) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)C2CC2)cc1)-c1cccs1 Show InChI InChI=1S/C22H21N3O2S/c23-18-10-9-17(20-2-1-11-28-20)12-19(18)25-22(27)16-5-3-14(4-6-16)13-24-21(26)15-7-8-15/h1-6,9-12,15H,7-8,13,23H2,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172833 (US9096559, 69) Show SMILES Cc1csc(c1)-c1ccc(N)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1 Show InChI InChI=1S/C24H22N4OS/c1-16-12-23(30-15-16)19-6-7-21(25)22(13-19)28-24(29)18-4-2-17(3-5-18)14-27-20-8-10-26-11-9-20/h2-13,15H,14,25H2,1H3,(H,26,27)(H,28,29)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172818 (US9096559, 52) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccncc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O2/c28-24-11-10-23(21-4-2-1-3-5-21)17-25(24)31-27(33)22-8-6-20(7-9-22)18-30-26(32)16-19-12-14-29-15-13-19/h1-15,17H,16,18,28H2,(H,30,32)(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172808 (US9096559, 42) Show SMILES CC(C)CC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C23H25N3O2S/c1-15(2)12-22(27)25-14-16-5-7-17(8-6-16)23(28)26-20-13-18(9-10-19(20)24)21-4-3-11-29-21/h3-11,13,15H,12,14,24H2,1-2H3,(H,25,27)(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172803 (US9096559, 14d | US9096559, 35) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)c2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C27H23N3O2/c28-24-16-15-23(20-7-3-1-4-8-20)17-25(24)30-27(32)22-13-11-19(12-14-22)18-29-26(31)21-9-5-2-6-10-21/h1-17H,18,28H2,(H,29,31)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278468 (CHEMBL469377 | ethyl 4-(2-amino-5-(thiophen-2-yl)p...) Show SMILES CCOP(C)(=O)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C21H23N2O3PS/c1-3-26-27(2,25)14-15-6-8-16(9-7-15)21(24)23-19-13-17(10-11-18(19)22)20-5-4-12-28-20/h4-13H,3,14,22H2,1-2H3,(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1				Bioorg Med Chem Lett 19: 2053-8 (2009) Article DOI: 10.1016/j.bmcl.2009.02.009 BindingDB Entry DOI: 10.7270/Q2QV3MDQ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172895 (US9096559, 1) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN(Cc2cccnc2)C([O-])=O)cc1)-c1ccccc1 Show InChI InChI=1S/C27H24N4O3/c28-24-13-12-23(21-6-2-1-3-7-21)15-25(24)30-26(32)22-10-8-19(9-11-22)17-31(27(33)34)18-20-5-4-14-29-16-20/h1-16H,17-18,28H2,(H,30,32)(H,33,34)/p-1	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172776 (US9096559, 6) Show SMILES Oc1ccc(cc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1)-c1cccnc1 Show InChI InChI=1S/C26H22N4O4/c31-24-10-9-21(22-4-2-12-28-16-22)13-23(24)30-25(32)20-7-5-18(6-8-20)15-29-26(33)34-17-19-3-1-11-27-14-19/h1-14,16,31H,15,17H2,(H,29,33)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229190 (CHEMBL253869 | N-(4-amino-biphenyl-3-yl)-4-[(3-pyr...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)CCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N4O2/c29-25-14-13-24(22-6-2-1-3-7-22)17-26(25)32-28(34)23-11-8-21(9-12-23)19-31-27(33)15-10-20-5-4-16-30-18-20/h1-9,11-14,16-18H,10,15,19,29H2,(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	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172806 (US9096559, 40) Show SMILES CC(C)C(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C22H23N3O2S/c1-14(2)21(26)24-13-15-5-7-16(8-6-15)22(27)25-19-12-17(9-10-18(19)23)20-4-3-11-28-20/h3-12,14H,13,23H2,1-2H3,(H,24,26)(H,25,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172807 (US9096559, 41) Show SMILES CC(C)(C)C(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1cccs1 Show InChI InChI=1S/C23H25N3O2S/c1-23(2,3)22(28)25-14-15-6-8-16(9-7-15)21(27)26-19-13-17(10-11-18(19)24)20-5-4-12-29-20/h4-13H,14,24H2,1-3H3,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM172812 (US9096559, 47) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1)-c1cccs1 Show InChI InChI=1S/C26H23N3O2S/c27-22-13-12-21(24-7-4-14-32-24)16-23(22)29-26(31)20-10-8-19(9-11-20)17-28-25(30)15-18-5-2-1-3-6-18/h1-14,16H,15,17,27H2,(H,28,30)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50229202 (CHEMBL400046 | US9096559, 10 | US9096559, 14e | [4...) Show SMILES CCOC(=O)NCc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C23H23N3O3/c1-2-29-23(28)25-15-16-8-10-18(11-9-16)22(27)26-21-14-19(12-13-20(21)24)17-6-4-3-5-7-17/h3-14H,2,15,24H2,1H3,(H,25,28)(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Novel compounds were tested for their ability to inhibit histone deacetylase, subtype 1 (HDAC1) using an in vitro deacetylation assay. The enzyme sou...				US Patent US9096559 (2015) BindingDB Entry DOI: 10.7270/Q2K07317
					More data for this Ligand-Target Pair

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