Compile Data Set for Download or QSAR

Found 83 hits with Last Name = 'yamori' and Initial = 't'   

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-lysine N-methyltransferase SETD7 (Homo sapiens (Human))	BDBM50017721 (1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay Description Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using Ac-KRSK-MCA peptide/SAM as substrate preincubated fo...				J Med Chem 59: 3650-60 (2016) Article DOI: 10.1021/acs.jmedchem.5b01732 BindingDB Entry DOI: 10.7270/Q2X068Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50558325 (CHEMBL4746359) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O2 |r,t:20| Show InChI	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	0.540	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50425908 (CHEMBL2313363) Show SMILES CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)C[C@@H]1O |r,t:13| Show InChI InChI=1S/C22H35N3O6S2/c1-12(2)19-16(26)10-18(28)31-14-7-5-6-8-32-33-11-15(21(29)25-19)23-22(30)20(13(3)4)24-17(27)9-14/h5,7,12-16,19-20,26H,6,8-11H2,1-4H3,(H,23,30)(H,24,27)(H,25,29)/b7-5+/t14-,15-,16+,19-,20-/m1/s1	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	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 60: 295-304 (2013) Article DOI: 10.1016/j.ejmech.2012.12.023 BindingDB Entry DOI: 10.7270/Q2PC33QD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50425909 (SPIRUCHOSTATIN C) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCS(C)=O)C(=O)N2)OC(=O)C[C@@H]1O |r,t:14| Show InChI InChI=1S/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15+,16+,17+,18-,21+,36?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 60: 295-304 (2013) Article DOI: 10.1016/j.ejmech.2012.12.023 BindingDB Entry DOI: 10.7270/Q2PC33QD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50558323 (CHEMBL4777615) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@H](CC(C)C)C(=O)NCC(=O)O2 |r,t:20| Show InChI	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	0.960	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50558327 (CHEMBL4798082) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@H](C)C(=O)NCC(=O)O2 |r,t:20| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50354086 (FK-228 | Istodax | ROMIDEPSIN) Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1	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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 60: 295-304 (2013) Article DOI: 10.1016/j.ejmech.2012.12.023 BindingDB Entry DOI: 10.7270/Q2PC33QD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50558329 (CHEMBL4776416) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)NCC(=O)O2 |r,t:20| Show InChI	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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kdelta HTRF assay				Bioorg Med Chem 20: 1947-51 (2012) Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50558322 (CHEMBL4754402) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O2 |r,t:20| Show InChI	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	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kalpha by HTRF assay				Bioorg Med Chem 20: 1947-51 (2012) Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM
					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	28	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50558324 (CHEMBL4796742) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O2 |r,t:20| Show InChI	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	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit beta isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kbeta HTRF assay				Bioorg Med Chem 20: 1947-51 (2012) Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM
					More data for this Ligand-Target Pair
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Homo sapiens (Human))	BDBM50315213 (2-(difluoromethyl)-1-(4,6-dimorpholin-4-yl-1,3,5-t...) Show SMILES FC(F)c1nc2ccccc2n1-c1nc(nc(n1)N1CCOCC1)N1CCOCC1 Show InChI InChI=1S/C19H21F2N7O2/c20-15(21)16-22-13-3-1-2-4-14(13)28(16)19-24-17(26-5-9-29-10-6-26)23-18(25-19)27-7-11-30-12-8-27/h1-4,15H,5-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics Curated by ChEMBL					Assay Description Inhibition of recombinant PI3Kgamma HTRF assay				Bioorg Med Chem 20: 1947-51 (2012) Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50558325 (CHEMBL4746359) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)O2 |r,t:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
TBA					Assay Description Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50558328 (CHEMBL4789369) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)NCC(=O)NCC(=O)O2 |r,t:20| Show InChI	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	92	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50048864 (CHEMBL3310505) Show SMILES [H][C@@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)N[C@@H](C(C)C)C(=O)O2 |r,t:20| Show InChI InChI=1S/C24H36N4O6S2/c1-6-16-21(30)28-20(14(4)5)24(33)34-15-9-7-8-10-35-36-12-17(22(31)25-16)26-23(32)19(13(2)3)27-18(29)11-15/h6-7,9,13-15,17,19-20H,8,10-12H2,1-5H3,(H,25,31)(H,26,32)(H,27,29)(H,28,30)/b9-7+,16-6-/t15-,17+,19+,20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	109	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50250101 ((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...) Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m0/s1	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	110	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50558326 (CHEMBL4777660) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@@H](C)C(=O)NCC(=O)O2 |r,t:20| Show InChI	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	184	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human HDAC1 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50425908 (CHEMBL2313363) Show SMILES CC(C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](C(C)C)C(=O)N2)OC(=O)C[C@@H]1O |r,t:13| Show InChI InChI=1S/C22H35N3O6S2/c1-12(2)19-16(26)10-18(28)31-14-7-5-6-8-32-33-11-15(21(29)25-19)23-22(30)20(13(3)4)24-17(27)9-14/h5,7,12-16,19-20,26H,6,8-11H2,1-4H3,(H,23,30)(H,24,27)(H,25,29)/b7-5+/t14-,15-,16+,19-,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 60: 295-304 (2013) Article DOI: 10.1016/j.ejmech.2012.12.023 BindingDB Entry DOI: 10.7270/Q2PC33QD
					More data for this Ligand-Target Pair
Histone deacetylase 2 (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	250	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protein tyrosine phosphatase type IVA 2 (Homo sapiens (Human))	BDBM50312665 (CHEMBL1088572 | Sodium 2-(2-Fluorophenyl)-6,7-meth...) Show SMILES OP([O-])(=O)OC1CC(=Nc2cc3OCOc3cc12)c1ccccc1F |c:7| Show InChI InChI=1S/C16H13FNO6P/c17-11-4-2-1-3-9(11)12-6-14(24-25(19,20)21)10-5-15-16(23-8-22-15)7-13(10)18-12/h1-5,7,14H,6,8H2,(H2,19,20,21)/p-1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	314	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human PTP4A2 by enzyme assay				J Med Chem 53: 1616-26 (2010) Article DOI: 10.1021/jm901292j BindingDB Entry DOI: 10.7270/Q2XG9R8X
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50250099 ((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...) Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1	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	320	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50425909 (SPIRUCHOSTATIN C) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCS(C)=O)C(=O)N2)OC(=O)C[C@@H]1O |r,t:14| Show InChI InChI=1S/C23H37N3O7S3/c1-4-14(2)21-18(27)12-20(29)33-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-36(3)32)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15+,16+,17+,18-,21+,36?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 60: 295-304 (2013) Article DOI: 10.1016/j.ejmech.2012.12.023 BindingDB Entry DOI: 10.7270/Q2PC33QD
					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	350	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Mus musculus)	BDBM50558324 (CHEMBL4796742) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)O2 |r,t:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	355	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50354086 (FK-228 | Istodax | ROMIDEPSIN) Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 76: 301-13 (2014) Article DOI: 10.1016/j.ejmech.2014.02.044 BindingDB Entry DOI: 10.7270/Q24J0GNP
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50354086 (FK-228 | Istodax | ROMIDEPSIN) Show SMILES C\C=C1/NC(=O)[C@@H](CS)NC(=O)[C@H](CC(=O)C[C@H](OC(=O)[C@@H](NC1=O)C(C)C)\C=C\CCS)C(C)C |r| Show InChI InChI=1S/C25H39N3O6S2/c1-6-19-23(31)28-21(15(4)5)25(33)34-17(9-7-8-10-35)11-16(29)12-18(14(2)3)22(30)27-20(13-36)24(32)26-19/h6-7,9,14-15,17-18,20-21,35-36H,8,10-13H2,1-5H3,(H,26,32)(H,27,30)(H,28,31)/b9-7+,19-6-/t17-,18-,20-,21+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 60: 295-304 (2013) Article DOI: 10.1016/j.ejmech.2012.12.023 BindingDB Entry DOI: 10.7270/Q2PC33QD
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50250101 ((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...) Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m0/s1	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	530	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair
Protein tyrosine phosphatase type IVA 1 (Homo sapiens (Human))	BDBM50312665 (CHEMBL1088572 | Sodium 2-(2-Fluorophenyl)-6,7-meth...) Show SMILES OP([O-])(=O)OC1CC(=Nc2cc3OCOc3cc12)c1ccccc1F |c:7| Show InChI InChI=1S/C16H13FNO6P/c17-11-4-2-1-3-9(11)12-6-14(24-25(19,20)21)10-5-15-16(23-8-22-15)7-13(10)18-12/h1-5,7,14H,6,8H2,(H2,19,20,21)/p-1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	676	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human PTP4A1 by enzyme assay				J Med Chem 53: 1616-26 (2010) Article DOI: 10.1021/jm901292j BindingDB Entry DOI: 10.7270/Q2XG9R8X
					More data for this Ligand-Target Pair
Tumor necrosis factor ligand superfamily member 11 (Mus musculus)	BDBM50128235 (CHEMBL3628709) Show SMILES CC[C@H](C)[C@H](N(C)C(=O)[C@H]([C@@H](C)CC)N(C)C(=O)C(\C)=C\CCCC#C)C(=O)N(C)[C@@H](C(C)C)C(=O)N(C)[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)CC |r| Show InChI InChI=1S/C47H78N6O7/c1-16-20-21-22-25-34(11)42(55)50(14)40(32(9)17-2)46(59)51(15)41(33(10)18-3)45(58)48(12)38(30(5)6)44(57)49(13)39(31(7)8)47(60)53-29-24-27-36(53)43(56)52-28-23-26-35(52)37(54)19-4/h1,25,30-33,35-36,38-41H,17-24,26-29H2,2-15H3/b34-25+/t32-,33-,35-,36-,38-,39-,40-,41-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	780	n/a	n/a	n/a	n/a	n/a	n/a
Keio University Curated by ChEMBL					Assay Description Inhibition of M-CSF/sRANKL-induced mouse BMDM differentiation into osteoclast after 72 hrs by TRAP staining-based microscopic analysis				Bioorg Med Chem Lett 25: 5295-8 (2015) Article DOI: 10.1016/j.bmcl.2015.09.044 BindingDB Entry DOI: 10.7270/Q2GX4DCP
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50250099 ((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(pyridine-3-car...) Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cccnc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C25H28BN3O4/c30-24(21-12-8-16-27-18-21)29-23(14-5-2-6-15-26(32)33)25(31)28-22-13-7-11-20(17-22)19-9-3-1-4-10-19/h1,3-4,7-13,16-18,23,32-33H,2,5-6,14-15H2,(H,28,31)(H,29,30)/t23-/m0/s1	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	830	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50558329 (CHEMBL4776416) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N\C(=C/C)C(=O)NCC(=O)O2 |r,t:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	859	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50354088 (CHEMBL1836142) Show SMILES CC[C@H](C)[C@H]1NC(=O)[C@H]2CSSCC\C=C\[C@H](CC(=O)N[C@H](CCSC)C(=O)N2)OC(=O)C[C@@H]1O |r,t:14| Show InChI InChI=1S/C23H37N3O6S3/c1-4-14(2)21-18(27)12-20(29)32-15-7-5-6-9-34-35-13-17(23(31)26-21)25-22(30)16(8-10-33-3)24-19(28)11-15/h5,7,14-18,21,27H,4,6,8-13H2,1-3H3,(H,24,28)(H,25,30)(H,26,31)/b7-5+/t14-,15+,16+,17+,18-,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	992	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 76: 301-13 (2014) Article DOI: 10.1016/j.ejmech.2014.02.044 BindingDB Entry DOI: 10.7270/Q24J0GNP
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase SETD7 (Homo sapiens (Human))	BDBM50017721 (1-Methyl-4-(5H-dibenzo(a,d)cycloheptenylidene)pipe...) Show SMILES [#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]-1/c2ccccc2-[#6]=[#6]-c2ccccc-12 |c:16| Show InChI InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
RIKEN Curated by ChEMBL					Assay Description Inhibition of recombinant Set7/9 (unknown origin) expressed in Escherichia coli BL21 (DE3) using biotinylated histone H3-derived peptide/SAM as subst...				J Med Chem 59: 3650-60 (2016) Article DOI: 10.1021/acs.jmedchem.5b01732 BindingDB Entry DOI: 10.7270/Q2X068Z4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Mus musculus)	BDBM50558327 (CHEMBL4798082) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@H](C)C(=O)NCC(=O)O2 |r,t:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50558326 (CHEMBL4777660) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@@H](C)C(=O)NCC(=O)O2 |r,t:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50249973 ((S)-6-(Benzenecarbonylamino)-7-(biphenyl-3-ylamino...) Show SMILES OB(O)CCCCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C26H29BN2O4/c30-25(21-13-6-2-7-14-21)29-24(17-8-3-9-18-27(32)33)26(31)28-23-16-10-15-22(19-23)20-11-4-1-5-12-20/h1-2,4-7,10-16,19,24,32-33H,3,8-9,17-18H2,(H,28,31)(H,29,30)/t24-/m0/s1	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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50558328 (CHEMBL4789369) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)NCC(=O)NCC(=O)O2 |r,t:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair
Cathepsin S (Homo sapiens (Human))	BDBM50312665 (CHEMBL1088572 | Sodium 2-(2-Fluorophenyl)-6,7-meth...) Show SMILES OP([O-])(=O)OC1CC(=Nc2cc3OCOc3cc12)c1ccccc1F |c:7| Show InChI InChI=1S/C16H13FNO6P/c17-11-4-2-1-3-9(11)12-6-14(24-25(19,20)21)10-5-15-16(23-8-22-15)7-13(10)18-12/h1-5,7,14H,6,8H2,(H2,19,20,21)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human cathepsin S by enzyme assay				J Med Chem 53: 1616-26 (2010) Article DOI: 10.1021/jm901292j BindingDB Entry DOI: 10.7270/Q2XG9R8X
					More data for this Ligand-Target Pair
Histone deacetylase 8 (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 MMDB PDB Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cathepsin E (Homo sapiens (Human))	BDBM50312665 (CHEMBL1088572 | Sodium 2-(2-Fluorophenyl)-6,7-meth...) Show SMILES OP([O-])(=O)OC1CC(=Nc2cc3OCOc3cc12)c1ccccc1F |c:7| Show InChI InChI=1S/C16H13FNO6P/c17-11-4-2-1-3-9(11)12-6-14(24-25(19,20)21)10-5-15-16(23-8-22-15)7-13(10)18-12/h1-5,7,14H,6,8H2,(H2,19,20,21)/p-1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
China Medical University Curated by ChEMBL					Assay Description Inhibition of human cathepsin E by enzyme assay				J Med Chem 53: 1616-26 (2010) Article DOI: 10.1021/jm901292j BindingDB Entry DOI: 10.7270/Q2XG9R8X
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50449386 (CHEMBL3126833) Show SMILES CSCC[C@H]1NC(=O)C[C@@H]2OC(=O)C[C@H](O)[C@H](NC(=O)[C@@H](CSSCC\C=C\2)NC1=O)C(C)C |r,t:26| Show InChI InChI=1S/C22H35N3O6S3/c1-13(2)20-17(26)11-19(28)31-14-6-4-5-8-33-34-12-16(22(30)25-20)24-21(29)15(7-9-32-3)23-18(27)10-14/h4,6,13-17,20,26H,5,7-12H2,1-3H3,(H,23,27)(H,24,29)(H,25,30)/b6-4+/t14-,15-,16-,17+,20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tohoku Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of mouse HDAC6 expressed in human 293T cells using Ac-KGLGK(Ac)-MCA as substrate after 30 mins by fluorescence assay				Eur J Med Chem 76: 301-13 (2014) Article DOI: 10.1016/j.ejmech.2014.02.044 BindingDB Entry DOI: 10.7270/Q24J0GNP
					More data for this Ligand-Target Pair
Telomerase reverse transcriptase (Homo sapiens (Human))	BDBM50365736 (CHEMBL1956189) Show SMILES CCn1\c(=C\c2scc(C)[n+]2CC)s\c(=C2\Sc3ccccc3N2C)c1=O Show InChI InChI=1S/C20H22N3OS3/c1-5-22-13(3)12-25-16(22)11-17-23(6-2)19(24)18(27-17)20-21(4)14-9-7-8-10-15(14)26-20/h7-12H,5-6H2,1-4H3/q+1/b20-18+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Tianjin Key Laboratory on Technologies Enabling Development of Clinical Therapeutics and Diagnostics Curated by ChEMBL					Assay Description Inhibition of telomerase				Bioorg Med Chem 20: 1947-51 (2012) Article DOI: 10.1016/j.bmc.2012.01.017 BindingDB Entry DOI: 10.7270/Q21G0MQM
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50120465 (CHEMBL281995 | N-(2-Chloro-1H-indol-7-yl)-4-methox...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccc2cc(Cl)[nH]c12 Show InChI InChI=1S/C15H13ClN2O3S/c1-21-11-5-7-12(8-6-11)22(19,20)18-13-4-2-3-10-9-14(16)17-15(10)13/h2-9,17-18H,1H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tubulin polymerization.				J Med Chem 45: 4913-22 (2002) Article DOI: 10.1021/jm0201060 BindingDB Entry DOI: 10.7270/Q2668GZX
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50250101 ((S)-7-(Biphenyl-3-ylamino)-7-oxo-6-(thiazole-5-car...) Show SMILES OB(O)CCCCC[C@H](NC(=O)c1cncs1)C(=O)Nc1cccc(c1)-c1ccccc1 |r| Show InChI InChI=1S/C23H26BN3O4S/c28-22(26-19-11-7-10-18(14-19)17-8-3-1-4-9-17)20(12-5-2-6-13-24(30)31)27-23(29)21-15-25-16-32-21/h1,3-4,7-11,14-16,20,30-31H,2,5-6,12-13H2,(H,26,28)(H,27,29)/t20-/m0/s1	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	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nagoya City University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 by fluorometry				J Med Chem 52: 2909-22 (2009) Article DOI: 10.1021/jm900125m BindingDB Entry DOI: 10.7270/Q2HH6JZW
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50101086 (CHEMBL20684 | E-7010 | N-(2-(4-hydroxyphenylamino)...) Show SMILES COc1ccc(cc1)S(=O)(=O)Nc1cccnc1Nc1ccc(O)cc1 Show InChI InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Co., Ltd. Curated by ChEMBL					Assay Description Inhibitory activity against tubulin polymerization.				J Med Chem 45: 4913-22 (2002) Article DOI: 10.1021/jm0201060 BindingDB Entry DOI: 10.7270/Q2668GZX
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Mus musculus)	BDBM50558322 (CHEMBL4754402) Show SMILES [H][C@]12CC(=O)N[C@H](C(C)C)C(=O)N[C@]([H])(CSSCC\C=C\1)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)O2 |r,t:20| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of mouse HDAC6 expressed in 293T cells using Ac-KGLGK(Ac)-MCA as substrate incubated for 30 mins in presence of 0.1 mM DTT by fluorescence...				Citation and Details Article DOI: 10.1016/j.ejmech.2016.05.031 BindingDB Entry DOI: 10.7270/Q2ZP49T6
					More data for this Ligand-Target Pair

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