Compile Data Set for Download or QSAR

Found 93 hits Enz. Inhib. hit(s) with all data for entry = 50008456   

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))	BDBM50519457 (CHEMBL4452620) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	<35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519456 (CHEMBL4565296) Show SMILES CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O3/c1-14(23)22(18-11-7-16(8-12-18)19(24)21-25)13-15-5-9-17(10-6-15)20(2,3)4/h5-12,25H,13H2,1-4H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	199	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519455 (CHEMBL4559559) Show SMILES CC(C)(C)OC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H30N2O4/c1-22(2,3)18-11-7-16(8-12-18)15-25(21(27)29-23(4,5)6)19-13-9-17(10-14-19)20(26)24-28/h7-14,28H,15H2,1-6H3,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	201	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519450 (CHEMBL4560533) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C26H28FN3O5S/c1-26(2,3)20-8-4-18(5-9-20)17-30(22-12-6-19(7-13-22)25(32)29-33)24(31)16-28-36(34,35)23-14-10-21(27)11-15-23/h4-15,28,33H,16-17H2,1-3H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	293	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519448 (CHEMBL4472310) Show SMILES CC(C)(C)c1ccc(CNc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C18H22N2O2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(21)20-22/h4-11,19,22H,12H2,1-3H3,(H,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	451	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519451 (CHEMBL4565392) Show SMILES CN(C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H17F6N3O5S/c1-31(14-6-2-12(3-7-14)23(34)30-35)17(33)11-32(38(36,37)15-8-4-13(24)5-9-15)10-16-18(25)20(27)22(29)21(28)19(16)26/h2-9,35H,10-11H2,1H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	573	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519453 (CHEMBL4576056) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H30FN3O5S/c1-27(2,3)21-9-5-19(6-10-21)17-31(23-13-7-20(8-14-23)26(33)29-34)25(32)18-30(4)37(35,36)24-15-11-22(28)12-16-24/h5-16,34H,17-18H2,1-4H3,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	768	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519454 (CHEMBL4464527) Show SMILES CN(CC(=O)N(C)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H18FN3O5S/c1-20(27(25,26)15-9-5-13(18)6-10-15)11-16(22)21(2)14-7-3-12(4-8-14)17(23)19-24/h3-10,24H,11H2,1-2H3,(H,19,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	793	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519449 (CHEMBL4437895) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CN(Cc2c(F)c(F)c(F)c(F)c2F)S(C)(=O)=O)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C28H28F5N3O5S/c1-28(2,3)18-9-5-16(6-10-18)13-36(19-11-7-17(8-12-19)27(38)34-39)21(37)15-35(42(4,40)41)14-20-22(29)24(31)26(33)25(32)23(20)30/h5-12,39H,13-15H2,1-4H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519458 (CHEMBL4563224) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C29H21F6N3O5S/c30-19-8-12-21(13-9-19)44(42,43)37(15-22-24(31)26(33)28(35)27(34)25(22)32)16-23(39)38(14-17-4-2-1-3-5-17)20-10-6-18(7-11-20)29(40)36-41/h1-13,41H,14-16H2,(H,36,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519452 (CHEMBL4520400) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CN(Cc2c(F)c(F)c(F)c(F)c2F)S(=O)(=O)c2ccc(F)cc2)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C33H29F6N3O5S/c1-33(2,3)21-8-4-19(5-9-21)16-42(23-12-6-20(7-13-23)32(44)40-45)26(43)18-41(48(46,47)24-14-10-22(34)11-15-24)17-25-27(35)29(37)31(39)30(38)28(25)36/h4-15,45H,16-18H2,1-3H3,(H,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	3.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells assessed as inhibitory constant using FAM-RHKK-Ac as su...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.617	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC1 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by ...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	0.681	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC1 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by ...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519458 (CHEMBL4563224) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C29H21F6N3O5S/c30-19-8-12-21(13-9-19)44(42,43)37(15-22-24(31)26(33)28(35)27(34)25(22)32)16-23(39)38(14-17-4-2-1-3-5-17)20-10-6-18(7-11-20)29(40)36-41/h1-13,41H,14-16H2,(H,36,40)	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	1.5	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC10 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC10 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC2 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by ...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50005711 (CHEBI:46024 | GNF-Pf-1011 | TRICHOSTATIN | Trichos...) Show SMILES C[C@H](\C=C(/C)\C=C\C(=O)NO)C(=O)c1ccc(cc1)N(C)C |r| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC2 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by ...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC7 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC4 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 1.5 hrs ...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	5.80	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC5 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC3 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 3 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50105327 (JNJ-26481585 | Quisinostat) Show SMILES Cn1cc(CNCC2CCN(CC2)c2ncc(cn2)C(=O)NO)c2ccccc12 Show InChI InChI=1S/C21H26N6O2/c1-26-14-17(18-4-2-3-5-19(18)26)11-22-10-15-6-8-27(9-7-15)21-23-12-16(13-24-21)20(28)25-29/h2-5,12-15,22,29H,6-11H2,1H3,(H,25,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC9 (604-1066 residues) expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for ...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519451 (CHEMBL4565392) Show SMILES CN(C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H17F6N3O5S/c1-31(14-6-2-12(3-7-14)23(34)30-35)17(33)11-32(38(36,37)15-8-4-13(24)5-9-15)10-16-18(25)20(27)22(29)21(28)19(16)26/h2-9,35H,10-11H2,1H3,(H,30,34)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519457 (CHEMBL4452620) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519449 (CHEMBL4437895) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CN(Cc2c(F)c(F)c(F)c(F)c2F)S(C)(=O)=O)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C28H28F5N3O5S/c1-28(2,3)18-9-5-16(6-10-18)13-36(19-11-7-17(8-12-19)27(38)34-39)21(37)15-35(42(4,40)41)14-20-22(29)24(31)26(33)25(32)23(20)30/h5-12,39H,13-15H2,1-4H3,(H,34,38)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519455 (CHEMBL4559559) Show SMILES CC(C)(C)OC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H30N2O4/c1-22(2,3)18-11-7-16(8-12-18)15-25(21(27)29-23(4,5)6)19-13-9-17(10-14-19)20(26)24-28/h7-14,28H,15H2,1-6H3,(H,24,26)	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	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50519450 (CHEMBL4560533) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C26H28FN3O5S/c1-26(2,3)20-8-4-18(5-9-20)17-30(22-12-6-19(7-13-22)25(32)29-33)24(31)16-28-36(34,35)23-14-10-21(27)11-15-23/h4-15,28,33H,16-17H2,1-3H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC8 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50519453 (CHEMBL4576056) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H30FN3O5S/c1-27(2,3)21-9-5-19(6-10-21)17-31(23-13-7-20(8-14-23)26(33)29-34)25(32)18-30(4)37(35,36)24-15-11-22(28)12-16-24/h5-16,34H,17-18H2,1-4H3,(H,29,33)	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	38	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC8 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50519458 (CHEMBL4563224) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C29H21F6N3O5S/c30-19-8-12-21(13-9-19)44(42,43)37(15-22-24(31)26(33)28(35)27(34)25(22)32)16-23(39)38(14-17-4-2-1-3-5-17)20-10-6-18(7-11-20)29(40)36-41/h1-13,41H,14-16H2,(H,36,40)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC11 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 17 hrs ...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519450 (CHEMBL4560533) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CNS(=O)(=O)c2ccc(F)cc2)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C26H28FN3O5S/c1-26(2,3)20-8-4-18(5-9-20)17-30(22-12-6-19(7-13-22)25(32)29-33)24(31)16-28-36(34,35)23-14-10-21(27)11-15-23/h4-15,28,33H,16-17H2,1-3H3,(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519453 (CHEMBL4576056) Show SMILES CN(CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C27H30FN3O5S/c1-27(2,3)21-9-5-19(6-10-21)17-31(23-13-7-20(8-14-23)26(33)29-34)25(32)18-30(4)37(35,36)24-15-11-22(28)12-16-24/h5-16,34H,17-18H2,1-4H3,(H,29,33)	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	55	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519456 (CHEMBL4565296) Show SMILES CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O3/c1-14(23)22(18-11-7-16(8-12-18)19(24)21-25)13-15-5-9-17(10-6-15)20(2,3)4/h5-12,25H,13H2,1-4H3,(H,21,24)	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	71	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50519456 (CHEMBL4565296) Show SMILES CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O3/c1-14(23)22(18-11-7-16(8-12-18)19(24)21-25)13-15-5-9-17(10-6-15)20(2,3)4/h5-12,25H,13H2,1-4H3,(H,21,24)	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	85	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC8 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50519458 (CHEMBL4563224) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C29H21F6N3O5S/c30-19-8-12-21(13-9-19)44(42,43)37(15-22-24(31)26(33)28(35)27(34)25(22)32)16-23(39)38(14-17-4-2-1-3-5-17)20-10-6-18(7-11-20)29(40)36-41/h1-13,41H,14-16H2,(H,36,40)	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	91	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC8 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519448 (CHEMBL4472310) Show SMILES CC(C)(C)c1ccc(CNc2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C18H22N2O2/c1-18(2,3)15-8-4-13(5-9-15)12-19-16-10-6-14(7-11-16)17(21)20-22/h4-11,19,22H,12H2,1-3H3,(H,20,21)	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	110	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519454 (CHEMBL4464527) Show SMILES CN(CC(=O)N(C)c1ccc(cc1)C(=O)NO)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C17H18FN3O5S/c1-20(27(25,26)15-9-5-13(18)6-10-15)11-16(22)21(2)14-7-3-12(4-8-14)17(23)19-24/h3-10,24H,11H2,1-2H3,(H,19,23)	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	117	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	118	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC1 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by ...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50519458 (CHEMBL4563224) Show SMILES ONC(=O)c1ccc(cc1)N(Cc1ccccc1)C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C29H21F6N3O5S/c30-19-8-12-21(13-9-19)44(42,43)37(15-22-24(31)26(33)28(35)27(34)25(22)32)16-23(39)38(14-17-4-2-1-3-5-17)20-10-6-18(7-11-20)29(40)36-41/h1-13,41H,14-16H2,(H,36,40)	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	132	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC3 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 3 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50519449 (CHEMBL4437895) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CN(Cc2c(F)c(F)c(F)c(F)c2F)S(C)(=O)=O)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C28H28F5N3O5S/c1-28(2,3)18-9-5-16(6-10-18)13-36(19-11-7-17(8-12-19)27(38)34-39)21(37)15-35(42(4,40)41)14-20-22(29)24(31)26(33)25(32)23(20)30/h5-12,39H,13-15H2,1-4H3,(H,34,38)	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	133	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC8 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50519457 (CHEMBL4452620) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC3 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 3 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50519452 (CHEMBL4520400) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CN(Cc2c(F)c(F)c(F)c(F)c2F)S(=O)(=O)c2ccc(F)cc2)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C33H29F6N3O5S/c1-33(2,3)21-8-4-19(5-9-21)16-42(23-12-6-20(7-13-23)32(44)40-45)26(43)18-41(48(46,47)24-14-10-22(34)11-15-24)17-25-27(35)29(37)31(39)30(38)28(25)36/h4-15,45H,16-18H2,1-3H3,(H,40,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC6 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 5 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50519451 (CHEMBL4565392) Show SMILES CN(C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H17F6N3O5S/c1-31(14-6-2-12(3-7-14)23(34)30-35)17(33)11-32(38(36,37)15-8-4-13(24)5-9-15)10-16-18(25)20(27)22(29)21(28)19(16)26/h2-9,35H,10-11H2,1H3,(H,30,34)	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	213	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC3 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 3 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50519449 (CHEMBL4437895) Show SMILES CC(C)(C)c1ccc(CN(C(=O)CN(Cc2c(F)c(F)c(F)c(F)c2F)S(C)(=O)=O)c2ccc(cc2)C(=O)NO)cc1 Show InChI InChI=1S/C28H28F5N3O5S/c1-28(2,3)18-9-5-16(6-10-18)13-36(19-11-7-17(8-12-19)27(38)34-39)21(37)15-35(42(4,40)41)14-20-22(29)24(31)26(33)25(32)23(20)30/h5-12,39H,13-15H2,1-4H3,(H,34,38)	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	213	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC3 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 3 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50519451 (CHEMBL4565392) Show SMILES CN(C(=O)CN(Cc1c(F)c(F)c(F)c(F)c1F)S(=O)(=O)c1ccc(F)cc1)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H17F6N3O5S/c1-31(14-6-2-12(3-7-14)23(34)30-35)17(33)11-32(38(36,37)15-8-4-13(24)5-9-15)10-16-18(25)20(27)22(29)21(28)19(16)26/h2-9,35H,10-11H2,1H3,(H,30,34)	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	224	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC8 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50519457 (CHEMBL4452620) Show SMILES CC(C)(C)c1ccc(cc1)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	245	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC8 expressed in baculovirus infected Sf9 cells using FAM-RHKK-TFAc as substrate incubated for 3 hrs by...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM19410 (CHEMBL27759 | MS-275 | US11377423, MS-275 | US1167...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNC(=O)OCc2cccnc2)cc1 Show InChI InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	247	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC2 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 17 hrs by ...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50519456 (CHEMBL4565296) Show SMILES CC(=O)N(Cc1ccc(cc1)C(C)(C)C)c1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H24N2O3/c1-14(23)22(18-11-7-16(8-12-18)19(24)21-25)13-15-5-9-17(10-6-15)20(2,3)4/h5-12,25H,13H2,1-4H3,(H,21,24)	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	276	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Mississauga Curated by ChEMBL					Assay Description Inhibition of recombinant full length human HDAC3 expressed in baculovirus infected Sf9 cells using FAM-RHKK-Ac as substrate incubated for 3 hrs by e...				ACS Med Chem Lett 11: 56-64 (2020) Article DOI: 10.1021/acsmedchemlett.9b00471 BindingDB Entry DOI: 10.7270/Q26976Z8
					More data for this Ligand-Target Pair

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