Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'baek' and Initial = 'sy'   

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
Stimulator of interferon genes protein (Human)	BDBM50604466 (CHEMBL5201766) Show SMILES CCn1nc(C)cc1C(=O)Nc1nc2cc(cc(OC)c2n1C\C=C\Cn1c(NC(=O)c2cc(C)nn2CC)nc2cc(cc(OCCCNC(=O)OC(C)(C)C)c12)C(N)=O)C(N)=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.0623	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01795 BindingDB Entry DOI: 10.7270/Q2H1363K
					More data for this Ligand-Target Pair
Histone deacetylase 6 (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	PDB Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 (1 to 1215 residues) expressed in sf9 cells using RHK-K(Ac)-AMC as substrate ...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Stimulator of interferon genes protein (Human)	BDBM50509049 (CHEMBL4440744) Show SMILES CCn1nc(C)cc1C(=O)\N=c1/[nH]c2cc(ccc2n1CCCCn1c2ccc(cc2[nH]\c1=N/C(=O)c1cc(C)nn1CC)C(N)=O)C(N)=O Show InChI InChI=1S/C34H38N12O4/c1-5-45-27(15-19(3)41-45)31(49)39-33-37-23-17-21(29(35)47)9-11-25(23)43(33)13-7-8-14-44-26-12-10-22(30(36)48)18-24(26)38-34(44)40-32(50)28-16-20(4)42-46(28)6-2/h9-12,15-18H,5-8,13-14H2,1-4H3,(H2,35,47)(H2,36,48)(H,37,39,49)(H,38,40,50)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.1c01795 BindingDB Entry DOI: 10.7270/Q2H1363K
					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	6.60	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal FLAG-His-tagged HDAC1 (1 to 482 residues) expressed in Sf21 cells using RHK-K(Ac)-AMC as subst...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (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	PDB Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	10.5	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal GST-tagged HDAC2 (1 to 488 residues) expressed in insect cells using RHK-K(Ac)-AMC as substrat...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	11.1	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant C-terminal His-tagged HDAC3 (1 to 428 residues)/human recombinant N-terminal GST-tagged NCOR2 expressed i...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 11 (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 antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	11.4	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal His-tagged HDAC11 (1 to 347 residues) expressed in insect cells/baculovirus expression system using RHK-K(...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522936 (CHEMBL4538156) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C14H15ClN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(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	15	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522940 (CHEMBL4565948) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Br)cc2)n1 Show InChI InChI=1S/C14H15BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(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	16	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522930 (CHEMBL4591740) Show SMILES ONC(=O)CCc1csc(CCc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C14H14F2N2O2S/c15-11-4-1-9(7-12(11)16)2-6-14-17-10(8-21-14)3-5-13(19)18-20/h1,4,7-8,20H,2-3,5-6H2,(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	20	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522929 (CHEMBL4516093) Show SMILES ONC(=O)CCc1csc(CCc2ccc(F)cc2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(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	21	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	23.2	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC9 using trifluoroacetyl lysine as substrate				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522942 (CHEMBL4570194) Show SMILES ONC(=O)CCc1csc(CCc2ccccc2)n1 Show InChI InChI=1S/C14H16N2O2S/c17-13(16-18)8-7-12-10-19-14(15-12)9-6-11-4-2-1-3-5-11/h1-5,10,18H,6-9H2,(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	31	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522922 (CHEMBL4514922) Show SMILES ONC(=O)CCc1csc(CCc2cccs2)n1 Show InChI InChI=1S/C12H14N2O2S2/c15-11(14-16)5-3-9-8-18-12(13-9)6-4-10-2-1-7-17-10/h1-2,7-8,16H,3-6H2,(H,14,15)	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	34	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					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	34.8	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC10 using RHK-K(Ac)-AMC as substrate				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522939 (CHEMBL4435211) Show SMILES ONC(=O)CCc1csc(CCc2cccc(F)c2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-3-1-2-10(8-11)4-7-14-16-12(9-20-14)5-6-13(18)17-19/h1-3,8-9,19H,4-7H2,(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	38	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522941 (CHEMBL4582980) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C15H15F3N2O2S/c16-15(17,18)11-4-1-10(2-5-11)3-8-14-19-12(9-23-14)6-7-13(21)20-22/h1-2,4-5,9,22H,3,6-8H2,(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	39	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	40.9	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged HDAC7 (518 to 991 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incubat...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522923 (CHEMBL4436629) Show SMILES ONC(=O)CCc1csc(\C=C\c2ccc(F)cc2)n1 Show InChI InChI=1S/C14H13FN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-5,8-9,19H,6-7H2,(H,17,18)/b8-3+	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522943 (CHEMBL4435558) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H15N3O4S/c18-13(16-19)7-4-11-9-22-14(15-11)8-3-10-1-5-12(6-2-10)17(20)21/h1-2,5-6,9,19H,3-4,7-8H2,(H,16,18)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522921 (CHEMBL4547600) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1 Show InChI InChI=1S/C15H18N2O3S/c1-20-13-6-2-11(3-7-13)4-9-15-16-12(10-21-15)5-8-14(18)17-19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(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	51	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522933 (CHEMBL4439017) Show SMILES ONC(=O)CCc1csc(CCc2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C16H17N3O2S/c20-15(19-21)7-6-12-10-22-16(18-12)8-5-11-9-17-14-4-2-1-3-13(11)14/h1-4,9-10,17,21H,5-8H2,(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	54	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522945 (CHEMBL4446389) Show SMILES ONC(=O)CCc1csc(CCc2ccc(O)cc2)n1 Show InChI InChI=1S/C14H16N2O3S/c17-12-5-1-10(2-6-12)3-8-14-15-11(9-20-14)4-7-13(18)16-19/h1-2,5-6,9,17,19H,3-4,7-8H2,(H,16,18)	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	57	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522937 (CHEMBL4449062) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1OC Show InChI InChI=1S/C16H20N2O4S/c1-21-13-6-3-11(9-14(13)22-2)4-8-16-17-12(10-23-16)5-7-15(19)18-20/h3,6,9-10,20H,4-5,7-8H2,1-2H3,(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	61	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					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	71	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522940 (CHEMBL4565948) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Br)cc2)n1 Show InChI InChI=1S/C14H15BrN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(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	80	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522921 (CHEMBL4547600) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1 Show InChI InChI=1S/C15H18N2O3S/c1-20-13-6-2-11(3-7-13)4-9-15-16-12(10-21-15)5-8-14(18)17-19/h2-3,6-7,10,19H,4-5,8-9H2,1H3,(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	84	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522947 (CHEMBL4520110) Show SMILES Nc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1 Show InChI InChI=1S/C14H17N3O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8,15H2,(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	85	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522936 (CHEMBL4538156) Show SMILES ONC(=O)CCc1csc(CCc2ccc(Cl)cc2)n1 Show InChI InChI=1S/C14H15ClN2O2S/c15-11-4-1-10(2-5-11)3-8-14-16-12(9-20-14)6-7-13(18)17-19/h1-2,4-5,9,19H,3,6-8H2,(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	90	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522924 (CHEMBL4458196) Show SMILES ONC(=O)CCCc1csc(CCc2ccccc2)n1 Show InChI InChI=1S/C15H18N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,11,19H,4,7-10H2,(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	95	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522925 (CHEMBL4440734) Show SMILES COc1cc(CCc2nc(CCC(=O)NO)cs2)cc(OC)c1OC Show InChI InChI=1S/C17H22N2O5S/c1-22-13-8-11(9-14(23-2)17(13)24-3)4-7-16-18-12(10-25-16)5-6-15(20)19-21/h8-10,21H,4-7H2,1-3H3,(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	97	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522943 (CHEMBL4435558) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)[N+]([O-])=O)n1 Show InChI InChI=1S/C14H15N3O4S/c18-13(16-19)7-4-11-9-22-14(15-11)8-3-10-1-5-12(6-2-10)17(20)21/h1-2,5-6,9,19H,3-4,7-8H2,(H,16,18)	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	98	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522932 (CHEMBL4467027) Show SMILES ONC(=O)CCc1csc(CCc2ccco2)n1 Show InChI InChI=1S/C12H14N2O3S/c15-11(14-16)5-3-9-8-18-12(13-9)6-4-10-2-1-7-17-10/h1-2,7-8,16H,3-6H2,(H,14,15)	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	101	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522937 (CHEMBL4449062) Show SMILES COc1ccc(CCc2nc(CCC(=O)NO)cs2)cc1OC Show InChI InChI=1S/C16H20N2O4S/c1-21-13-6-3-11(9-14(13)22-2)4-8-16-17-12(10-23-16)5-7-15(19)18-20/h3,6,9-10,20H,4-5,7-8H2,1-2H3,(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	103	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant C-terminal His-tagged HDAC5 (657 to 1123 residues) expressed in insect cells using Boc-K(TFA)-AMC as substrate incuba...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522927 (CHEMBL4518594) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C15H15N3O2S/c16-9-12-3-1-11(2-4-12)5-8-15-17-13(10-21-15)6-7-14(19)18-20/h1-4,10,20H,5-8H2,(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	110	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50522944 (CHEMBL4542710) Show SMILES ONC(=O)CCc1csc(\C=C\c2c[nH]c3ccccc23)n1 Show InChI InChI=1S/C16H15N3O2S/c20-15(19-21)7-6-12-10-22-16(18-12)8-5-11-9-17-14-4-2-1-3-13(11)14/h1-5,8-10,17,21H,6-7H2,(H,19,20)/b8-5+	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
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522942 (CHEMBL4570194) Show SMILES ONC(=O)CCc1csc(CCc2ccccc2)n1 Show InChI InChI=1S/C14H16N2O2S/c17-13(16-18)8-7-12-10-19-14(15-12)9-6-11-4-2-1-3-5-11/h1-5,10,18H,6-9H2,(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	118	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522927 (CHEMBL4518594) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)C#N)n1 Show InChI InChI=1S/C15H15N3O2S/c16-9-12-3-1-11(2-4-12)5-8-15-17-13(10-21-15)6-7-14(19)18-20/h1-4,10,20H,5-8H2,(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	120	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	132	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant N-terminal GST-tagged C-terminal His-tagged HDAC4 (627 to 1084 residues) expressed in insect cells using Boc-K(TFA)-A...				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522922 (CHEMBL4514922) Show SMILES ONC(=O)CCc1csc(CCc2cccs2)n1 Show InChI InChI=1S/C12H14N2O2S2/c15-11(14-16)5-3-9-8-18-12(13-9)6-4-10-2-1-7-17-10/h1-2,7-8,16H,3-6H2,(H,14,15)	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	141	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522941 (CHEMBL4582980) Show SMILES ONC(=O)CCc1csc(CCc2ccc(cc2)C(F)(F)F)n1 Show InChI InChI=1S/C15H15F3N2O2S/c16-15(17,18)11-4-1-10(2-5-11)3-8-14-19-12(9-23-14)6-7-13(21)20-22/h1-2,4-5,9,22H,3,6-8H2,(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	165	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50156678 (CHEMBL3792392) Show SMILES ONC(=O)CCCc1csc(\C=C\c2ccccc2)n1 Show InChI InChI=1S/C15H16N2O2S/c18-14(17-19)8-4-7-13-11-20-15(16-13)10-9-12-5-2-1-3-6-12/h1-3,5-6,9-11,19H,4,7-8H2,(H,17,18)/b10-9+	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	199	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Fluor de Lys-SIRT1 as substrate incubated for 15 mins by fluorescence assay				Eur J Med Chem 116: 126-135 (2016) Article DOI: 10.1016/j.ejmech.2016.03.046 BindingDB Entry DOI: 10.7270/Q2057HTZ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522939 (CHEMBL4435211) Show SMILES ONC(=O)CCc1csc(CCc2cccc(F)c2)n1 Show InChI InChI=1S/C14H15FN2O2S/c15-11-3-1-2-10(8-11)4-7-14-16-12(9-20-14)5-6-13(18)17-19/h1-3,8-9,19H,4-7H2,(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	260	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50522930 (CHEMBL4591740) Show SMILES ONC(=O)CCc1csc(CCc2ccc(F)c(F)c2)n1 Show InChI InChI=1S/C14H14F2N2O2S/c15-11-4-1-9(7-12(11)16)2-6-14-17-10(8-21-14)3-5-13(19)18-20/h1,4,7-8,20H,2-3,5-6H2,(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	278	n/a	n/a	n/a	n/a	n/a	n/a
Sungkyunkwan University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic HDAC substrate 3 pre-incubated for 30 mins followed by HDAC developer addition and measured a...				Bioorg Med Chem 27: 3408-3420 (2019) Article DOI: 10.1016/j.bmc.2019.06.036 BindingDB Entry DOI: 10.7270/Q2CR5XRJ
					More data for this Ligand-Target Pair

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