Compile Data Set for Download or QSAR

Found 44 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3081   

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))	BDBM27774 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1 Show InChI InChI=1S/C26H30N4OS/c27-22-9-8-21(24-3-1-16-32-24)17-23(22)29-25(31)20-6-4-19(5-7-20)18-30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,18,27H2,(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	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27773 (N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]d...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H32N4O/c29-25-12-11-24(22-5-2-1-3-6-22)19-26(25)31-27(33)23-9-7-21(8-10-23)20-32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,20,29H2,(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27782 (N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]d...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1 Show InChI InChI=1S/C28H30N4O2/c29-24-12-11-23(20-5-2-1-3-6-20)19-25(24)31-26(33)21-7-9-22(10-8-21)27(34)32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,29H2,(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27775 (N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{1,8-diazasp...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccsc1 Show InChI InChI=1S/C26H30N4OS/c27-23-7-6-21(22-8-15-32-18-22)16-24(23)29-25(31)20-4-2-19(3-5-20)17-30-13-10-26(11-14-30)9-1-12-28-26/h2-8,15-16,18,28H,1,9-14,17,27H2,(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	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					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	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					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	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					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	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27780 (N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1F Show InChI InChI=1S/C28H29FN4O2/c29-23-5-2-1-4-22(23)21-10-11-24(30)25(18-21)32-26(34)19-6-8-20(9-7-19)27(35)33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,30H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27779 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1cccs1 Show InChI InChI=1S/C26H28N4O2S/c27-21-9-8-20(23-3-1-16-33-23)17-22(21)29-24(31)18-4-6-19(7-5-18)25(32)30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,27H2,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27781 (N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H29FN4O2/c29-23-9-6-19(7-10-23)22-8-11-24(30)25(18-22)32-26(34)20-2-4-21(5-3-20)27(35)33-16-13-28(14-17-33)12-1-15-31-28/h2-11,18,31H,1,12-17,30H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27778 (N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H31FN4O/c29-24-9-6-21(7-10-24)23-8-11-25(30)26(18-23)32-27(34)22-4-2-20(3-5-22)19-33-16-13-28(14-17-33)12-1-15-31-28/h2-11,18,31H,1,12-17,19,30H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					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	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27761 (N-(2-hydroxy-5-phenylphenyl)-4-({[1-(pyridin-4-yl)...) Show SMILES CC(NCc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1)c1ccncc1 Show InChI InChI=1S/C27H25N3O2/c1-19(21-13-15-28-16-14-21)29-18-20-7-9-23(10-8-20)27(32)30-25-17-24(11-12-26(25)31)22-5-3-2-4-6-22/h2-17,19,29,31H,18H2,1H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27776 (N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1F Show InChI InChI=1S/C28H31FN4O/c29-24-5-2-1-4-23(24)22-10-11-25(30)26(18-22)32-27(34)21-8-6-20(7-9-21)19-33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,19,30H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27760 (N-(2-hydroxy-5-phenylphenyl)-4-{[(pyridin-3-ylmeth...) Show SMILES Oc1ccc(cc1NC(=O)c1ccc(CNCc2cccnc2)cc1)-c1ccccc1 Show InChI InChI=1S/C26H23N3O2/c30-25-13-12-23(21-6-2-1-3-7-21)15-24(25)29-26(31)22-10-8-19(9-11-22)16-28-18-20-5-4-14-27-17-20/h1-15,17,28,30H,16,18H2,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27772 (N-(2-amino-5-phenylphenyl)-4-{2,8-diazaspiro[4.5]d...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCNC3)CC2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H32N4O/c29-25-11-10-24(22-4-2-1-3-5-22)18-26(25)31-27(33)23-8-6-21(7-9-23)19-32-16-13-28(14-17-32)12-15-30-20-28/h1-11,18,30H,12-17,19-20,29H2,(H,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27777 (N-[2-amino-5-(3-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccc(F)c1 Show InChI InChI=1S/C28H31FN4O/c29-24-4-1-3-22(17-24)23-9-10-25(30)26(18-23)32-27(34)21-7-5-20(6-8-21)19-33-15-12-28(13-16-33)11-2-14-31-28/h1,3-10,17-18,31H,2,11-16,19,30H2,(H,32,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27759 (N-(2-hydroxy-5-phenylphenyl)-4-{[(2-methylpropyl)a...) Show SMILES CC(C)CNCc1ccc(cc1)C(=O)Nc1cc(ccc1O)-c1ccccc1 Show InChI InChI=1S/C24H26N2O2/c1-17(2)15-25-16-18-8-10-20(11-9-18)24(28)26-22-14-21(12-13-23(22)27)19-6-4-3-5-7-19/h3-14,17,25,27H,15-16H2,1-2H3,(H,26,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	112	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27753 (4-({[(3-chlorophenyl)methyl]amino}methyl)-N-hydrox...) Show SMILES ONC(=O)c1ccc(CNCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C15H15ClN2O2/c16-14-3-1-2-12(8-14)10-17-9-11-4-6-13(7-5-11)15(19)18-20/h1-8,17,20H,9-10H2,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	348	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27754 (N-hydroxy-4-({[(3-methoxyphenyl)methyl]amino}methy...) Show SMILES COc1cccc(CNCc2ccc(cc2)C(=O)NO)c1 Show InChI InChI=1S/C16H18N2O3/c1-21-15-4-2-3-13(9-15)11-17-10-12-5-7-14(8-6-12)16(19)18-20/h2-9,17,20H,10-11H2,1H3,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	477	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27758 (N-(2-hydroxy-5-phenylphenyl)-4-{[(2-phenylethyl)am...) Show SMILES Oc1ccc(cc1NC(=O)c1ccc(CNCCc2ccccc2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H26N2O2/c31-27-16-15-25(23-9-5-2-6-10-23)19-26(27)30-28(32)24-13-11-22(12-14-24)20-29-18-17-21-7-3-1-4-8-21/h1-16,19,29,31H,17-18,20H2,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	972	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27755 (4-({[2-(3-chlorophenyl)ethyl]amino}methyl)-N-hydro...) Show SMILES ONC(=O)c1ccc(CNCCc2cccc(Cl)c2)cc1 Show InChI InChI=1S/C16H17ClN2O2/c17-15-3-1-2-12(10-15)8-9-18-11-13-4-6-14(7-5-13)16(20)19-21/h1-7,10,18,21H,8-9,11H2,(H,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27767 (N-(2-hydroxyphenyl)-4-[(pyridin-4-ylamino)methyl]b...) Show SMILES Oc1ccccc1NC(=O)c1ccc(CNc2ccncc2)cc1 Show InChI InChI=1S/C19H17N3O2/c23-18-4-2-1-3-17(18)22-19(24)15-7-5-14(6-8-15)13-21-16-9-11-20-12-10-16/h1-12,23H,13H2,(H,20,21)(H,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.57E+3	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27756 (4-{[(4-chlorophenyl)amino]methyl}-N-hydroxybenzami...) Show SMILES ONC(=O)c1ccc(CNc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C14H13ClN2O2/c15-12-5-7-13(8-6-12)16-9-10-1-3-11(4-2-10)14(18)17-19/h1-8,16,19H,9H2,(H,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27765 (N-(5-fluoro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino...) Show SMILES Oc1ccc(F)cc1NC(=O)c1ccc(CNc2ccncc2)cc1 Show InChI InChI=1S/C19H16FN3O2/c20-15-5-6-18(24)17(11-15)23-19(25)14-3-1-13(2-4-14)12-22-16-7-9-21-10-8-16/h1-11,24H,12H2,(H,21,22)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27781 (N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H29FN4O2/c29-23-9-6-19(7-10-23)22-8-11-24(30)25(18-22)32-26(34)20-2-4-21(5-3-20)27(35)33-16-13-28(14-17-33)12-1-15-31-28/h2-11,18,31H,1,12-17,30H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27779 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1cccs1 Show InChI InChI=1S/C26H28N4O2S/c27-21-9-8-20(23-3-1-16-33-23)17-22(21)29-24(31)18-4-6-19(7-5-18)25(32)30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,27H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.33E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27778 (N-[2-amino-5-(4-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccc(F)cc1 Show InChI InChI=1S/C28H31FN4O/c29-24-9-6-21(7-10-24)23-8-11-25(30)26(18-23)32-27(34)22-4-2-20(3-5-22)19-33-16-13-28(14-17-33)12-1-15-31-28/h2-11,18,31H,1,12-17,19,30H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27764 (N-(5-chloro-2-hydroxyphenyl)-4-[(pyridin-4-ylamino...) Show SMILES Oc1ccc(Cl)cc1NC(=O)c1ccc(CNc2ccncc2)cc1 Show InChI InChI=1S/C19H16ClN3O2/c20-15-5-6-18(24)17(11-15)23-19(25)14-3-1-13(2-4-14)12-22-16-7-9-21-10-8-16/h1-11,24H,12H2,(H,21,22)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.03E+3	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27782 (N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]d...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1 Show InChI InChI=1S/C28H30N4O2/c29-24-12-11-23(20-5-2-1-3-6-20)19-25(24)31-26(33)21-7-9-22(10-8-21)27(34)32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,29H2,(H,31,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.10E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27766 (N-(5-bromo-2-hydroxyphenyl)-4-[(pyridin-4-ylamino)...) Show SMILES Oc1ccc(Br)cc1NC(=O)c1ccc(CNc2ccncc2)cc1 Show InChI InChI=1S/C19H16BrN3O2/c20-15-5-6-18(24)17(11-15)23-19(25)14-3-1-13(2-4-14)12-22-16-7-9-21-10-8-16/h1-11,24H,12H2,(H,21,22)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.22E+3	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.38E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27777 (N-[2-amino-5-(3-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccc(F)c1 Show InChI InChI=1S/C28H31FN4O/c29-24-4-1-3-22(17-24)23-9-10-25(30)26(18-23)32-27(34)21-7-5-20(6-8-21)19-33-15-12-28(13-16-33)11-2-14-31-28/h1,3-10,17-18,31H,2,11-16,19,30H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.73E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.39E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27772 (N-(2-amino-5-phenylphenyl)-4-{2,8-diazaspiro[4.5]d...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCNC3)CC2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H32N4O/c29-25-11-10-24(22-4-2-1-3-5-22)18-26(25)31-27(33)23-8-6-21(7-9-23)19-32-16-13-28(14-17-32)12-15-30-20-28/h1-11,18,30H,12-17,19-20,29H2,(H,31,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.93E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27768 (N-(2-hydroxy-5-methoxyphenyl)-4-[(pyridin-4-ylamin...) Show SMILES COc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1 Show InChI InChI=1S/C20H19N3O3/c1-26-17-6-7-19(24)18(12-17)23-20(25)15-4-2-14(3-5-15)13-22-16-8-10-21-11-9-16/h2-12,24H,13H2,1H3,(H,21,22)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.96E+3	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27775 (N-[2-amino-5-(thiophen-3-yl)phenyl]-4-{1,8-diazasp...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccsc1 Show InChI InChI=1S/C26H30N4OS/c27-23-7-6-21(22-8-15-32-18-22)16-24(23)29-25(31)20-4-2-19(3-5-20)17-30-13-10-26(11-14-30)9-1-12-28-26/h2-8,15-16,18,28H,1,9-14,17,27H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.71E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27774 (N-[2-amino-5-(thiophen-2-yl)phenyl]-4-{1,8-diazasp...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1cccs1 Show InChI InChI=1S/C26H30N4OS/c27-22-9-8-21(24-3-1-16-32-24)17-23(22)29-25(31)20-6-4-19(5-7-20)18-30-14-11-26(12-15-30)10-2-13-28-26/h1,3-9,16-17,28H,2,10-15,18,27H2,(H,29,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	9.62E+3	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27773 (N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]d...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1 Show InChI InChI=1S/C28H32N4O/c29-25-12-11-24(22-5-2-1-3-6-22)19-26(25)31-27(33)23-9-7-21(8-10-23)20-32-17-14-28(15-18-32)13-4-16-30-28/h1-3,5-12,19,30H,4,13-18,20,29H2,(H,31,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.65E+4	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27776 (N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(CN2CCC3(CCCN3)CC2)cc1)-c1ccccc1F Show InChI InChI=1S/C28H31FN4O/c29-24-5-2-1-4-23(24)22-10-11-25(30)26(18-22)32-27(34)21-8-6-20(7-9-21)19-33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,19,30H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.74E+4	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.93E+4	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27763 (N-(2-hydroxy-5-methylphenyl)-4-[(pyridin-4-ylamino...) Show SMILES Cc1ccc(O)c(NC(=O)c2ccc(CNc3ccncc3)cc2)c1 Show InChI InChI=1S/C20H19N3O2/c1-14-2-7-19(24)18(12-14)23-20(25)16-5-3-15(4-6-16)13-22-17-8-10-21-11-9-17/h2-12,24H,13H2,1H3,(H,21,22)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+4	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM27757 (4-[(cyclohexylamino)methyl]-N-hydroxybenzamide | h...) Show SMILES ONC(=O)c1ccc(CNC2CCCCC2)cc1 Show InChI InChI=1S/C14H20N2O2/c17-14(16-18)12-8-6-11(7-9-12)10-15-13-4-2-1-3-5-13/h6-9,13,15,18H,1-5,10H2,(H,16,17)	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	2.41E+4	n/a	n/a	n/a	n/a	8.0	37
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM27780 (N-[2-amino-5-(2-fluorophenyl)phenyl]-4-{1,8-diazas...) Show SMILES Nc1ccc(cc1NC(=O)c1ccc(cc1)C(=O)N1CCC2(CCCN2)CC1)-c1ccccc1F Show InChI InChI=1S/C28H29FN4O2/c29-23-5-2-1-4-22(23)21-10-11-24(30)25(18-21)32-26(34)19-6-8-20(9-7-19)27(35)33-16-13-28(14-17-33)12-3-15-31-28/h1-2,4-11,18,31H,3,12-17,30H2,(H,32,34)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	25
Merck Research Laboratories					Assay Description The Fluor-de-Lys HDAC activity assay kit (Biomol) was used. Purified recombinant HDAC enzyme was incubated with Fluor-de-Lys substrate in the presenc...				Bioorg Med Chem Lett 19: 1168-72 (2009) Article DOI: 10.1016/j.bmcl.2008.12.083 BindingDB Entry DOI: 10.7270/Q2SQ8XQM
					More data for this Ligand-Target Pair