Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with all data for entry = 50048241   

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 6 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C30H37N5O5/c1-21-25(18-30(37)40-3)26-17-24(39-2)14-15-28(26)35(21)19-22-10-12-23(13-11-22)27-20-34(33-31-27)16-8-6-4-5-7-9-29(36)32-38/h10-15,17,20,38H,4-9,16,18-19H2,1-3H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209789 (CHEMBL3885174) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C29H35N5O5/c1-20-24(17-29(36)39-3)25-16-23(38-2)13-14-27(25)34(20)18-21-9-11-22(12-10-21)26-19-33(32-30-26)15-7-5-4-6-8-28(35)31-37/h9-14,16,19,37H,4-8,15,17-18H2,1-3H3,(H,31,35)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50209791 (CHEMBL3883560) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCCC(=O)NO Show InChI InChI=1S/C25H31N5O5S/c1-18-8-10-19(11-9-18)23-17-22(25(32)27-16-6-4-2-3-5-7-24(31)29-33)28-30(23)20-12-14-21(15-13-20)36(26,34)35/h8-15,17,33H,2-7,16H2,1H3,(H,27,32)(H,29,31)(H2,26,34,35)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209791 (CHEMBL3883560) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCCC(=O)NO Show InChI InChI=1S/C25H31N5O5S/c1-18-8-10-19(11-9-18)23-17-22(25(32)27-16-6-4-2-3-5-7-24(31)29-33)28-30(23)20-12-14-21(15-13-20)36(26,34)35/h8-15,17,33H,2-7,16H2,1H3,(H,27,32)(H,29,31)(H2,26,34,35)	PDB 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	33	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209789 (CHEMBL3885174) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C29H35N5O5/c1-20-24(17-29(36)39-3)25-16-23(38-2)13-14-27(25)34(20)18-21-9-11-22(12-10-21)26-19-33(32-30-26)15-7-5-4-6-8-28(35)31-37/h9-14,16,19,37H,4-8,15,17-18H2,1-3H3,(H,31,35)	PDB 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	35	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209794 (CHEMBL3884118) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C25H28ClN3O5/c1-16-20(15-24(31)27-13-5-3-4-6-23(30)28-33)21-14-19(34-2)11-12-22(21)29(16)25(32)17-7-9-18(26)10-8-17/h7-12,14,33H,3-6,13,15H2,1-2H3,(H,27,31)(H,28,30)	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	49	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209790 (CHEMBL3885367) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C26H30ClN3O5/c1-17-21(16-25(32)28-14-6-4-3-5-7-24(31)29-34)22-15-20(35-2)12-13-23(22)30(17)26(33)18-8-10-19(27)11-9-18/h8-13,15,34H,3-7,14,16H2,1-2H3,(H,28,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209797 (CHEMBL3885245) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C27H32ClN3O5/c1-18-22(17-26(33)29-15-7-5-3-4-6-8-25(32)30-35)23-16-21(36-2)13-14-24(23)31(18)27(34)19-9-11-20(28)12-10-19/h9-14,16,35H,3-8,15,17H2,1-2H3,(H,29,33)(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209834 (CHEMBL3884141) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C25H30N4O5S/c1-18-8-10-19(11-9-18)23-17-22(25(31)26-16-6-4-3-5-7-24(30)28-32)27-29(23)20-12-14-21(15-13-20)35(2,33)34/h8-15,17,32H,3-7,16H2,1-2H3,(H,26,31)(H,28,30)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB 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	59	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209791 (CHEMBL3883560) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCCC(=O)NO Show InChI InChI=1S/C25H31N5O5S/c1-18-8-10-19(11-9-18)23-17-22(25(32)27-16-6-4-2-3-5-7-24(31)29-33)28-30(23)20-12-14-21(15-13-20)36(26,34)35/h8-15,17,33H,2-7,16H2,1H3,(H,27,32)(H,29,31)(H2,26,34,35)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209829 (CHEMBL3883830) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C25H29F3N4O4S/c1-18-8-10-19(11-9-18)22-17-23(25(26,27)28)30-32(22)20-12-14-21(15-13-20)37(35,36)29-16-6-4-2-3-5-7-24(33)31-34/h8-15,17,29,34H,2-7,16H2,1H3,(H,31,33)	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	61	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209835 (CHEMBL3885496) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C24H27F3N4O4S/c1-17-7-9-18(10-8-17)21-16-22(24(25,26)27)29-31(21)19-11-13-20(14-12-19)36(34,35)28-15-5-3-2-4-6-23(32)30-33/h7-14,16,28,33H,2-6,15H2,1H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209795 (CHEMBL3884044) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O4S/c1-16-6-8-17(9-7-16)20-15-21(23(24,25)26)28-30(20)18-10-12-19(13-11-18)35(33,34)27-14-4-2-3-5-22(31)29-32/h6-13,15,27,32H,2-5,14H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209792 (CHEMBL3884279) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C24H29N5O5S/c1-17-7-9-18(10-8-17)22-16-21(24(31)26-15-5-3-2-4-6-23(30)28-32)27-29(22)19-11-13-20(14-12-19)35(25,33)34/h7-14,16,32H,2-6,15H2,1H3,(H,26,31)(H,28,30)(H2,25,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	83	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209789 (CHEMBL3885174) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C29H35N5O5/c1-20-24(17-29(36)39-3)25-16-23(38-2)13-14-27(25)34(20)18-21-9-11-22(12-10-21)26-19-33(32-30-26)15-7-5-4-6-8-28(35)31-37/h9-14,16,19,37H,4-8,15,17-18H2,1-3H3,(H,31,35)	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	89	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209787 (CHEMBL3883667) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C23H27N5O5S/c1-16-6-8-17(9-7-16)21-15-20(23(30)25-14-4-2-3-5-22(29)27-31)26-28(21)18-10-12-19(13-11-18)34(24,32)33/h6-13,15,31H,2-5,14H2,1H3,(H,25,30)(H,27,29)(H2,24,32,33)	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	92	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209790 (CHEMBL3885367) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C26H30ClN3O5/c1-17-21(16-25(32)28-14-6-4-3-5-7-24(31)29-34)22-15-20(35-2)12-13-23(22)30(17)26(33)18-8-10-19(27)11-9-18/h8-13,15,34H,3-7,14,16H2,1-2H3,(H,28,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	111	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	116	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209789 (CHEMBL3885174) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C29H35N5O5/c1-20-24(17-29(36)39-3)25-16-23(38-2)13-14-27(25)34(20)18-21-9-11-22(12-10-21)26-19-33(32-30-26)15-7-5-4-6-8-28(35)31-37/h9-14,16,19,37H,4-8,15,17-18H2,1-3H3,(H,31,35)	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	135	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50209834 (CHEMBL3884141) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C25H30N4O5S/c1-18-8-10-19(11-9-18)23-17-22(25(31)26-16-6-4-3-5-7-24(30)28-32)27-29(23)20-12-14-21(15-13-20)35(2,33)34/h8-15,17,32H,3-7,16H2,1-2H3,(H,26,31)(H,28,30)	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	163	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C30H37N5O5/c1-21-25(18-30(37)40-3)26-17-24(39-2)14-15-28(26)35(21)19-22-10-12-23(13-11-22)27-20-34(33-31-27)16-8-6-4-5-7-9-29(36)32-38/h10-15,17,20,38H,4-9,16,18-19H2,1-3H3,(H,32,36)	PDB 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	181	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50209791 (CHEMBL3883560) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCCC(=O)NO Show InChI InChI=1S/C25H31N5O5S/c1-18-8-10-19(11-9-18)23-17-22(25(32)27-16-6-4-2-3-5-7-24(31)29-33)28-30(23)20-12-14-21(15-13-20)36(26,34)35/h8-15,17,33H,2-7,16H2,1H3,(H,27,32)(H,29,31)(H2,26,34,35)	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	183	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin) after 20 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209787 (CHEMBL3883667) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C23H27N5O5S/c1-16-6-8-17(9-7-16)21-15-20(23(30)25-14-4-2-3-5-22(29)27-31)26-28(21)18-10-12-19(13-11-18)34(24,32)33/h6-13,15,31H,2-5,14H2,1H3,(H,25,30)(H,27,29)(H2,24,32,33)	PDB 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	191	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209792 (CHEMBL3884279) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C24H29N5O5S/c1-17-7-9-18(10-8-17)22-16-21(24(31)26-15-5-3-2-4-6-23(30)28-32)27-29(22)19-11-13-20(14-12-19)35(25,33)34/h7-14,16,32H,2-6,15H2,1H3,(H,26,31)(H,28,30)(H2,25,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	208	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C30H37N5O5/c1-21-25(18-30(37)40-3)26-17-24(39-2)14-15-28(26)35(21)19-22-10-12-23(13-11-22)27-20-34(33-31-27)16-8-6-4-5-7-9-29(36)32-38/h10-15,17,20,38H,4-9,16,18-19H2,1-3H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209798 (CHEMBL3884552) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)38-3)24-15-22(37-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-5-7-27(34)30-36/h8-13,15,18,36H,4-7,14,16-17H2,1-3H3,(H,30,34)	PDB 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	224	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209795 (CHEMBL3884044) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C23H25F3N4O4S/c1-16-6-8-17(9-7-16)20-15-21(23(24,25)26)28-30(20)18-10-12-19(13-11-18)35(33,34)27-14-4-2-3-5-22(31)29-32/h6-13,15,27,32H,2-5,14H2,1H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	226	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50209787 (CHEMBL3883667) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C23H27N5O5S/c1-16-6-8-17(9-7-16)21-15-20(23(30)25-14-4-2-3-5-22(29)27-31)26-28(21)18-10-12-19(13-11-18)34(24,32)33/h6-13,15,31H,2-5,14H2,1H3,(H,25,30)(H,27,29)(H2,24,32,33)	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	232	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C30H37N5O5/c1-21-25(18-30(37)40-3)26-17-24(39-2)14-15-28(26)35(21)19-22-10-12-23(13-11-22)27-20-34(33-31-27)16-8-6-4-5-7-9-29(36)32-38/h10-15,17,20,38H,4-9,16,18-19H2,1-3H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209829 (CHEMBL3883830) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C25H29F3N4O4S/c1-18-8-10-19(11-9-18)22-17-23(25(26,27)28)30-32(22)20-12-14-21(15-13-20)37(35,36)29-16-6-4-2-3-5-7-24(33)31-34/h8-15,17,29,34H,2-7,16H2,1H3,(H,31,33)	PDB 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	256	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209834 (CHEMBL3884141) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C25H30N4O5S/c1-18-8-10-19(11-9-18)23-17-22(25(31)26-16-6-4-3-5-7-24(30)28-32)27-29(23)20-12-14-21(15-13-20)35(2,33)34/h8-15,17,32H,3-7,16H2,1-2H3,(H,26,31)(H,28,30)	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	261	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209797 (CHEMBL3885245) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C27H32ClN3O5/c1-18-22(17-26(33)29-15-7-5-3-4-6-8-25(32)30-35)23-16-21(36-2)13-14-24(23)31(18)27(34)19-9-11-20(28)12-10-19/h9-14,16,35H,3-8,15,17H2,1-2H3,(H,29,33)(H,30,32)	PDB 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	283	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50209792 (CHEMBL3884279) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C24H29N5O5S/c1-17-7-9-18(10-8-17)22-16-21(24(31)26-15-5-3-2-4-6-23(30)28-32)27-29(22)19-11-13-20(14-12-19)35(25,33)34/h7-14,16,32H,2-6,15H2,1H3,(H,26,31)(H,28,30)(H2,25,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	294	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50209835 (CHEMBL3885496) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C24H27F3N4O4S/c1-17-7-9-18(10-8-17)21-16-22(24(25,26)27)29-31(21)19-11-13-20(14-12-19)36(34,35)28-15-5-3-2-4-6-23(32)30-33/h7-14,16,28,33H,2-6,15H2,1H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition for 2 mins by Cayman...				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50209788 (CHEMBL3884506) Show SMILES COc1ccc2n(Cc3ccc(cc3)-c3cn(CCCCCCC(=O)NO)nn3)c(C)c(CC(O)=O)c2c1 Show InChI InChI=1S/C28H33N5O5/c1-19-23(16-28(35)36)24-15-22(38-2)12-13-26(24)33(19)17-20-8-10-21(11-9-20)25-18-32(31-29-25)14-6-4-3-5-7-27(34)30-37/h8-13,15,18,37H,3-7,14,16-17H2,1-2H3,(H,30,34)(H,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Prostaglandin G/H synthase 2 (Homo sapiens (Human))	BDBM50209790 (CHEMBL3885367) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C26H30ClN3O5/c1-17-21(16-25(32)28-14-6-4-3-5-7-24(31)29-34)22-15-20(35-2)12-13-23(22)30(17)26(33)18-8-10-19(27)11-9-18/h8-13,15,34H,3-7,14,16H2,1-2H3,(H,28,32)(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of recombinant human COX2 using arachidonic acid as substrate preincubated for 15 mins followed by substrate addition for 2 mins by Cayman...				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209792 (CHEMBL3884279) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C24H29N5O5S/c1-17-7-9-18(10-8-17)22-16-21(24(31)26-15-5-3-2-4-6-23(30)28-32)27-29(22)19-11-13-20(14-12-19)35(25,33)34/h7-14,16,32H,2-6,15H2,1H3,(H,26,31)(H,28,30)(H2,25,33,34)	PDB 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	333	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209834 (CHEMBL3884141) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C25H30N4O5S/c1-18-8-10-19(11-9-18)23-17-22(25(31)26-16-6-4-3-5-7-24(30)28-32)27-29(23)20-12-14-21(15-13-20)35(2,33)34/h8-15,17,32H,3-7,16H2,1-2H3,(H,26,31)(H,28,30)	PDB 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	338	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209794 (CHEMBL3884118) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C25H28ClN3O5/c1-16-20(15-24(31)27-13-5-3-4-6-23(30)28-33)21-14-19(34-2)11-12-22(21)29(16)25(32)17-7-9-18(26)10-8-17/h7-12,14,33H,3-6,13,15H2,1-2H3,(H,27,31)(H,28,30)	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	345	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209834 (CHEMBL3884141) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(C)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C25H30N4O5S/c1-18-8-10-19(11-9-18)23-17-22(25(31)26-16-6-4-3-5-7-24(30)28-32)27-29(23)20-12-14-21(15-13-20)35(2,33)34/h8-15,17,32H,3-7,16H2,1-2H3,(H,26,31)(H,28,30)	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	345	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209790 (CHEMBL3885367) Show SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(=O)NCCCCCCC(=O)NO)c2c1 Show InChI InChI=1S/C26H30ClN3O5/c1-17-21(16-25(32)28-14-6-4-3-5-7-24(31)29-34)22-15-20(35-2)12-13-23(22)30(17)26(33)18-8-10-19(27)11-9-18/h8-13,15,34H,3-7,14,16H2,1-2H3,(H,28,32)(H,29,31)	PDB 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	356	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209796 (CHEMBL3885011) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C30H37N5O5/c1-21-25(18-30(37)40-3)26-17-24(39-2)14-15-28(26)35(21)19-22-10-12-23(13-11-22)27-20-34(33-31-27)16-8-6-4-5-7-9-29(36)32-38/h10-15,17,20,38H,4-9,16,18-19H2,1-3H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	394	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50209787 (CHEMBL3883667) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C23H27N5O5S/c1-16-6-8-17(9-7-16)21-15-20(23(30)25-14-4-2-3-5-22(29)27-31)26-28(21)18-10-12-19(13-11-18)34(24,32)33/h6-13,15,31H,2-5,14H2,1H3,(H,25,30)(H,27,29)(H2,24,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50209789 (CHEMBL3885174) Show SMILES COC(=O)Cc1c(C)n(Cc2ccc(cc2)-c2cn(CCCCCCC(=O)NO)nn2)c2ccc(OC)cc12 Show InChI InChI=1S/C29H35N5O5/c1-20-24(17-29(36)39-3)25-16-23(38-2)13-14-27(25)34(20)18-21-9-11-22(12-10-21)26-19-33(32-30-26)15-7-5-4-6-8-28(35)31-37/h9-14,16,19,37H,4-8,15,17-18H2,1-3H3,(H,31,35)	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	407	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin) after 24 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209835 (CHEMBL3885496) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C24H27F3N4O4S/c1-17-7-9-18(10-8-17)21-16-22(24(25,26)27)29-31(21)19-11-13-20(14-12-19)36(34,35)28-15-5-3-2-4-6-23(32)30-33/h7-14,16,28,33H,2-6,15H2,1H3,(H,30,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	412	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50209835 (CHEMBL3885496) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(=O)(=O)NCCCCCCC(=O)NO)C(F)(F)F Show InChI InChI=1S/C24H27F3N4O4S/c1-17-7-9-18(10-8-17)21-16-22(24(25,26)27)29-31(21)19-11-13-20(14-12-19)36(34,35)28-15-5-3-2-4-6-23(32)30-33/h7-14,16,28,33H,2-6,15H2,1H3,(H,30,32)	PDB 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	424	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50209792 (CHEMBL3884279) Show SMILES Cc1ccc(cc1)-c1cc(nn1-c1ccc(cc1)S(N)(=O)=O)C(=O)NCCCCCCC(=O)NO Show InChI InChI=1S/C24H29N5O5S/c1-17-7-9-18(10-8-17)22-16-21(24(31)26-15-5-3-2-4-6-23(30)28-32)27-29(22)19-11-13-20(14-12-19)35(25,33)34/h7-14,16,32H,2-6,15H2,1H3,(H,26,31)(H,28,30)(H2,25,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin) after 2.5 hrs by SAMDI mass spectroscopic analysis				Bioorg Med Chem 25: 1202-1218 (2017) Article DOI: 10.1016/j.bmc.2016.12.032 BindingDB Entry DOI: 10.7270/Q2F76FJW
					More data for this Ligand-Target Pair

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