Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'jiao' and Initial = 'j'   

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 (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50480998 (CHEMBL567972) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1cccs1 Show InChI InChI=1S/C22H22N2O5S/c1-28-20-13-15(4-10-19(20)29-14-18-3-2-12-30-18)5-11-21(25)23-17-8-6-16(7-9-17)22(26)24-27/h2-4,6-10,12-13,27H,5,11,14H2,1H3,(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481005 (CHEMBL568586) Show SMILES ONC(=O)c1ccc(NC(=O)CCc2ccc3OCOc3c2)cc1 Show InChI InChI=1S/C17H16N2O5/c20-16(18-13-5-3-12(4-6-13)17(21)19-22)8-2-11-1-7-14-15(9-11)24-10-23-14/h1,3-7,9,22H,2,8,10H2,(H,18,20)(H,19,21)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (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 UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308316 ((S)-Benzyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-(phe...) Show SMILES ONC(=O)COc1ccc2C[C@H](N(Cc2c1)C(=O)OCc1ccccc1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C28H29N3O6/c32-26(30-35)19-36-24-12-11-22-16-25(27(33)29-14-13-20-7-3-1-4-8-20)31(17-23(22)15-24)28(34)37-18-21-9-5-2-6-10-21/h1-12,15,25,35H,13-14,16-19H2,(H,29,33)(H,30,32)/t25-/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	580	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50480995 (CHEMBL570280) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1ccccc1Br Show InChI InChI=1S/C24H23BrN2O5/c1-31-22-14-16(6-12-21(22)32-15-18-4-2-3-5-20(18)25)7-13-23(28)26-19-10-8-17(9-11-19)24(29)27-30/h2-6,8-12,14,30H,7,13,15H2,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481012 (CHEMBL570499) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1ccccc1 Show InChI InChI=1S/C24H24N2O5/c1-30-22-15-17(7-13-21(22)31-16-18-5-3-2-4-6-18)8-14-23(27)25-20-11-9-19(10-12-20)24(28)26-29/h2-7,9-13,15,29H,8,14,16H2,1H3,(H,25,27)(H,26,28)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481007 (CHEMBL568184) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1ccc(Br)cc1 Show InChI InChI=1S/C24H23BrN2O5/c1-31-22-14-16(4-12-21(22)32-15-17-2-8-19(25)9-3-17)5-13-23(28)26-20-10-6-18(7-11-20)24(29)27-30/h2-4,6-12,14,30H,5,13,15H2,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481011 (CHEMBL571358) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1cccc(Br)c1 Show InChI InChI=1S/C24H23BrN2O5/c1-31-22-14-16(5-11-21(22)32-15-17-3-2-4-19(25)13-17)6-12-23(28)26-20-9-7-18(8-10-20)24(29)27-30/h2-5,7-11,13-14,30H,6,12,15H2,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308290 ((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...) Show SMILES COc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C24H29N3O7/c1-24(2,3)34-23(30)27-13-16-11-19(33-14-21(28)26-31)8-5-15(16)12-20(27)22(29)25-17-6-9-18(32-4)10-7-17/h5-11,20,31H,12-14H2,1-4H3,(H,25,29)(H,26,28)/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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308307 ((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-(naphthalen...) Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1cccc2ccccc12 |r| Show InChI InChI=1S/C22H21N3O4/c26-21(25-28)13-29-17-9-8-15-11-20(23-12-16(15)10-17)22(27)24-19-7-3-5-14-4-1-2-6-18(14)19/h1-10,20,23,28H,11-13H2,(H,24,27)(H,25,26)/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	1.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (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 UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shan Dong University					Assay Description In vitro bioactivity evaluation of compounds 4a-n was performed by HDAC activity assays using a HDAC colorimetric activity assay kit (AK501; Biomol R...				J Enzyme Inhib Med Chem 25: 132-8 (2010) Article DOI: 10.3109/14756360903049034 BindingDB Entry DOI: 10.7270/Q2MS3RNW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50475234 (CHEMBL189912) Show SMILES ONC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 Show InChI InChI=1S/C16H16N2O3/c19-15(11-6-12-4-2-1-3-5-12)17-14-9-7-13(8-10-14)16(20)18-21/h1-5,7-10,21H,6,11H2,(H,17,19)(H,18,20)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308300 ((S)-tert-Butyl 3-(3-chlorophenylcarbamoyl)-7-(2-(h...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C23H26ClN3O6/c1-23(2,3)33-22(30)27-12-15-9-18(32-13-20(28)26-31)8-7-14(15)10-19(27)21(29)25-17-6-4-5-16(24)11-17/h4-9,11,19,31H,10,12-13H2,1-3H3,(H,25,29)(H,26,28)/t19-/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	1.17E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50480996 (CHEMBL568185) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1ccccc1Cl Show InChI InChI=1S/C24H23ClN2O5/c1-31-22-14-16(6-12-21(22)32-15-18-4-2-3-5-20(18)25)7-13-23(28)26-19-10-8-17(9-11-19)24(29)27-30/h2-6,8-12,14,30H,7,13,15H2,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308284 ((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccccc1 |r| Show InChI InChI=1S/C23H27N3O6/c1-23(2,3)32-22(29)26-13-16-11-18(31-14-20(27)25-30)10-9-15(16)12-19(26)21(28)24-17-7-5-4-6-8-17/h4-11,19,30H,12-14H2,1-3H3,(H,24,28)(H,25,27)/t19-/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	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50480994 (CHEMBL586060) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1ccc(Cl)cc1 Show InChI InChI=1S/C24H23ClN2O5/c1-31-22-14-16(4-12-21(22)32-15-17-2-8-19(25)9-3-17)5-13-23(28)26-20-10-6-18(7-11-20)24(29)27-30/h2-4,6-12,14,30H,5,13,15H2,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					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	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481010 (CHEMBL570279) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1ccc(C)cc1 Show InChI InChI=1S/C25H26N2O5/c1-17-3-5-19(6-4-17)16-32-22-13-7-18(15-23(22)31-2)8-14-24(28)26-21-11-9-20(10-12-21)25(29)27-30/h3-7,9-13,15,30H,8,14,16H2,1-2H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308304 ((S)-tert-Butyl 3-(3-chloro-4-fluorophenylcarbamoyl...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C23H25ClFN3O6/c1-23(2,3)34-22(31)28-11-14-8-16(33-12-20(29)27-32)6-4-13(14)9-19(28)21(30)26-15-5-7-18(25)17(24)10-15/h4-8,10,19,32H,9,11-12H2,1-3H3,(H,26,30)(H,27,29)/t19-/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	1.55E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481001 (CHEMBL578209) Show SMILES CCCCOc1ccc(CCC(=O)Nc2ccc(cc2)C(=O)NO)cc1OC Show InChI InChI=1S/C21H26N2O5/c1-3-4-13-28-18-11-5-15(14-19(18)27-2)6-12-20(24)22-17-9-7-16(8-10-17)21(25)23-26/h5,7-11,14,26H,3-4,6,12-13H2,1-2H3,(H,22,24)(H,23,25)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50480993 (CHEMBL567155) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1cccc(Cl)c1 Show InChI InChI=1S/C24H23ClN2O5/c1-31-22-14-16(5-11-21(22)32-15-17-3-2-4-19(25)13-17)6-12-23(28)26-20-9-7-18(8-10-20)24(29)27-30/h2-5,7-11,13-14,30H,6,12,15H2,1H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308292 ((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...) Show SMILES Cc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)OC(C)(C)C)cc1 |r| Show InChI InChI=1S/C24H29N3O6/c1-15-5-8-18(9-6-15)25-22(29)20-12-16-7-10-19(32-14-21(28)26-31)11-17(16)13-27(20)23(30)33-24(2,3)4/h5-11,20,31H,12-14H2,1-4H3,(H,25,29)(H,26,28)/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	1.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481009 (CHEMBL571802) Show SMILES CCCOc1ccc(CCC(=O)Nc2ccc(cc2)C(=O)NO)cc1OC Show InChI InChI=1S/C20H24N2O5/c1-3-12-27-17-10-4-14(13-18(17)26-2)5-11-19(23)21-16-8-6-15(7-9-16)20(24)22-25/h4,6-10,13,25H,3,5,11-12H2,1-2H3,(H,21,23)(H,22,24)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308296 ((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...) Show SMILES Cc1cccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)OC(C)(C)C)c1 |r| Show InChI InChI=1S/C24H29N3O6/c1-15-6-5-7-18(10-15)25-22(29)20-12-16-8-9-19(32-14-21(28)26-31)11-17(16)13-27(20)23(30)33-24(2,3)4/h5-11,20,31H,12-14H2,1-4H3,(H,25,29)(H,26,28)/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	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481002 (CHEMBL585905) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1ccccc1C Show InChI InChI=1S/C25H26N2O5/c1-17-5-3-4-6-20(17)16-32-22-13-7-18(15-23(22)31-2)8-14-24(28)26-21-11-9-19(10-12-21)25(29)27-30/h3-7,9-13,15,30H,8,14,16H2,1-2H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308308 ((S)-tert-Butyl 3-(biphenyl-4-ylcarbamoyl)-7-(2-(hy...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C29H31N3O6/c1-29(2,3)38-28(35)32-17-22-15-24(37-18-26(33)31-36)14-11-21(22)16-25(32)27(34)30-23-12-9-20(10-13-23)19-7-5-4-6-8-19/h4-15,25,36H,16-18H2,1-3H3,(H,30,34)(H,31,33)/t25-/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	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481004 (CHEMBL576109) Show SMILES CCC(C)Oc1ccc(CCC(=O)Nc2ccc(cc2)C(=O)NO)cc1OC Show InChI InChI=1S/C21H26N2O5/c1-4-14(2)28-18-11-5-15(13-19(18)27-3)6-12-20(24)22-17-9-7-16(8-10-17)21(25)23-26/h5,7-11,13-14,26H,4,6,12H2,1-3H3,(H,22,24)(H,23,25)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308309 ((S)-N-(Biphenyl-4-yl)-7-(2-(hydroxyamino)-2-oxoeth...) Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C24H23N3O4/c28-23(27-30)15-31-21-11-8-18-13-22(25-14-19(18)12-21)24(29)26-20-9-6-17(7-10-20)16-4-2-1-3-5-16/h1-12,22,25,30H,13-15H2,(H,26,29)(H,27,28)/t22-/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	2.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308298 ((S)-tert-Butyl 3-(4-fluorophenylcarbamoyl)-7-(2-(h...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C23H26FN3O6/c1-23(2,3)33-22(30)27-12-15-10-18(32-13-20(28)26-31)9-4-14(15)11-19(27)21(29)25-17-7-5-16(24)6-8-17/h4-10,19,31H,11-13H2,1-3H3,(H,25,29)(H,26,28)/t19-/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	2.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481006 (CHEMBL570492) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1cccc(C)c1 Show InChI InChI=1S/C25H26N2O5/c1-17-4-3-5-19(14-17)16-32-22-12-6-18(15-23(22)31-2)7-13-24(28)26-21-10-8-20(9-11-21)25(29)27-30/h3-6,8-12,14-15,30H,7,13,16H2,1-2H3,(H,26,28)(H,27,29)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308288 ((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C25H31N3O6/c1-25(2,3)34-24(31)28-15-19-13-20(33-16-22(29)27-32)10-9-18(19)14-21(28)23(30)26-12-11-17-7-5-4-6-8-17/h4-10,13,21,32H,11-12,14-16H2,1-3H3,(H,26,30)(H,27,29)/t21-/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	2.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50480997 (CHEMBL566697) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCCC(C)C Show InChI InChI=1S/C22H28N2O5/c1-15(2)12-13-29-19-10-4-16(14-20(19)28-3)5-11-21(25)23-18-8-6-17(7-9-18)22(26)24-27/h4,6-10,14-15,27H,5,11-13H2,1-3H3,(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481000 (CHEMBL568886) Show SMILES CCOc1ccc(CCC(=O)Nc2ccc(cc2)C(=O)NO)cc1OC Show InChI InChI=1S/C19H22N2O5/c1-3-26-16-10-4-13(12-17(16)25-2)5-11-18(22)20-15-8-6-14(7-9-15)19(23)21-24/h4,6-10,12,24H,3,5,11H2,1-2H3,(H,20,22)(H,21,23)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308310 ((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...) Show SMILES CCCCCNC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C22H33N3O6/c1-5-6-7-10-23-20(27)18-12-15-8-9-17(30-14-19(26)24-29)11-16(15)13-25(18)21(28)31-22(2,3)4/h8-9,11,18,29H,5-7,10,12-14H2,1-4H3,(H,23,27)(H,24,26)/t18-/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	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308301 ((S)-N-(3-chlorophenyl)-7-(2-(hydroxyamino)-2-oxoet...) Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1cccc(Cl)c1 |r| Show InChI InChI=1S/C18H18ClN3O4/c19-13-2-1-3-14(8-13)21-18(24)16-7-11-4-5-15(6-12(11)9-20-16)26-10-17(23)22-25/h1-6,8,16,20,25H,7,9-10H2,(H,21,24)(H,22,23)/t16-/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	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308299 ((S)-N-(4-Fluorophenyl)-7-(2-(hydroxyamino)-2-oxoet...) Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1ccc(F)cc1 |r| Show InChI InChI=1S/C18H18FN3O4/c19-13-2-4-14(5-3-13)21-18(24)16-8-11-1-6-15(7-12(11)9-20-16)26-10-17(23)22-25/h1-7,16,20,25H,8-10H2,(H,21,24)(H,22,23)/t16-/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	3.23E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50480999 (CHEMBL570050) Show SMILES COc1ccc(CCC(=O)Nc2ccc(cc2)C(=O)NO)cc1OC Show InChI InChI=1S/C18H20N2O5/c1-24-15-9-3-12(11-16(15)25-2)4-10-17(21)19-14-7-5-13(6-8-14)18(22)20-23/h3,5-9,11,23H,4,10H2,1-2H3,(H,19,21)(H,20,22)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308305 ((S)-N-(3-Chloro-4-fluorophenyl)-7-(2-(hydroxyamino...) Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)Nc1ccc(F)c(Cl)c1 |r| Show InChI InChI=1S/C18H17ClFN3O4/c19-14-7-12(2-4-15(14)20)22-18(25)16-6-10-1-3-13(5-11(10)8-21-16)27-9-17(24)23-26/h1-5,7,16,21,26H,6,8-9H2,(H,22,25)(H,23,24)/t16-/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	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308303 ((S)-N-(2,4-Dimethylphenyl)-7-(2-(hydroxyamino)-2-o...) Show SMILES Cc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2)c(C)c1 |r| Show InChI InChI=1S/C20H23N3O4/c1-12-3-6-17(13(2)7-12)22-20(25)18-9-14-4-5-16(8-15(14)10-21-18)27-11-19(24)23-26/h3-8,18,21,26H,9-11H2,1-2H3,(H,22,25)(H,23,24)/t18-/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	3.39E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM232987 ((E)-3-(4-(4-methoxybenzyloxy)-3-methoxyphenyl)-N-h...) Show SMILES COc1ccc(COc2ccc(\C=C\C(=O)NO)cc2OC)cc1 Show InChI InChI=1S/C18H19NO5/c1-22-15-7-3-14(4-8-15)12-24-16-9-5-13(11-17(16)23-2)6-10-18(20)19-21/h3-11,21H,12H2,1-2H3,(H,19,20)/b10-6+	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shan Dong University					Assay Description In vitro bioactivity evaluation of compounds 4a-n was performed by HDAC activity assays using a HDAC colorimetric activity assay kit (AK501; Biomol R...				J Enzyme Inhib Med Chem 25: 132-8 (2010) Article DOI: 10.3109/14756360903049034 BindingDB Entry DOI: 10.7270/Q2MS3RNW
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308286 ((S)-tert-Butyl 3-(benzylcarbamoyl)-7-(2-(hydroxyam...) Show SMILES CC(C)(C)OC(=O)N1Cc2cc(OCC(=O)NO)ccc2C[C@H]1C(=O)NCc1ccccc1 |r| Show InChI InChI=1S/C24H29N3O6/c1-24(2,3)33-23(30)27-14-18-11-19(32-15-21(28)26-31)10-9-17(18)12-20(27)22(29)25-13-16-7-5-4-6-8-16/h4-11,20,31H,12-15H2,1-3H3,(H,25,29)(H,26,28)/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	3.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308311 ((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-pentyl-1,2,...) Show SMILES CCCCCNC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1 |r| Show InChI InChI=1S/C17H25N3O4/c1-2-3-4-7-18-17(22)15-9-12-5-6-14(8-13(12)10-19-15)24-11-16(21)20-23/h5-6,8,15,19,23H,2-4,7,9-11H2,1H3,(H,18,22)(H,20,21)/t15-/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	3.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308297 ((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-m-tolyl-1,2...) Show SMILES Cc1cccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2)c1 |r| Show InChI InChI=1S/C19H21N3O4/c1-12-3-2-4-15(7-12)21-19(24)17-9-13-5-6-16(8-14(13)10-20-17)26-11-18(23)22-25/h2-8,17,20,25H,9-11H2,1H3,(H,21,24)(H,22,23)/t17-/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	3.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308302 ((S)-tert-Butyl 3-(2, 4-dimethylphenylcarbamoyl)-7-...) Show SMILES Cc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2C(=O)OC(C)(C)C)c(C)c1 |r| Show InChI InChI=1S/C25H31N3O6/c1-15-6-9-20(16(2)10-15)26-23(30)21-12-17-7-8-19(33-14-22(29)27-32)11-18(17)13-28(21)24(31)34-25(3,4)5/h6-11,21,32H,12-14H2,1-5H3,(H,26,30)(H,27,29)/t21-/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	3.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308293 ((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-p-tolyl-1,2...) Show SMILES Cc1ccc(NC(=O)[C@@H]2Cc3ccc(OCC(=O)NO)cc3CN2)cc1 |r| Show InChI InChI=1S/C19H21N3O4/c1-12-2-5-15(6-3-12)21-19(24)17-9-13-4-7-16(8-14(13)10-20-17)26-11-18(23)22-25/h2-8,17,20,25H,9-11H2,1H3,(H,21,24)(H,22,23)/t17-/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	3.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481003 (CHEMBL567971) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OCc1ccccn1 Show InChI InChI=1S/C23H23N3O5/c1-30-21-14-16(5-11-20(21)31-15-19-4-2-3-13-24-19)6-12-22(27)25-18-9-7-17(8-10-18)23(28)26-29/h2-5,7-11,13-14,29H,6,12,15H2,1H3,(H,25,27)(H,26,28)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308294 ((S)-tert-Butyl 7-(2-(hydroxyamino)-2-oxoethoxy)-3-...) Show SMILES Cc1ccccc1NC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1C(=O)OC(C)(C)C |r| Show InChI InChI=1S/C24H29N3O6/c1-15-7-5-6-8-19(15)25-22(29)20-12-16-9-10-18(32-14-21(28)26-31)11-17(16)13-27(20)23(30)33-24(2,3)4/h5-11,20,31H,12-14H2,1-4H3,(H,25,29)(H,26,28)/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	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase (HDAC1 and HDAC2) (Homo sapiens (Human))	BDBM50481008 (CHEMBL583409) Show SMILES COc1cc(CCC(=O)Nc2ccc(cc2)C(=O)NO)ccc1OC1CCCC1 Show InChI InChI=1S/C22H26N2O5/c1-28-20-14-15(6-12-19(20)29-18-4-2-3-5-18)7-13-21(25)23-17-10-8-16(9-11-17)22(26)24-27/h6,8-12,14,18,27H,2-5,7,13H2,1H3,(H,23,25)(H,24,26)	PDB UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC1/HDAC2 from human Hela nuclear extracts using [3H]acetylated histone peptide by colorimetry				Eur J Med Chem 44: 4470-6 (2009) Article DOI: 10.1016/j.ejmech.2009.06.010 BindingDB Entry DOI: 10.7270/Q2P55RB1
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308289 ((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-phenethyl-1...) Show SMILES ONC(=O)COc1ccc2C[C@H](NCc2c1)C(=O)NCCc1ccccc1 |r| Show InChI InChI=1S/C20H23N3O4/c24-19(23-26)13-27-17-7-6-15-11-18(22-12-16(15)10-17)20(25)21-9-8-14-4-2-1-3-5-14/h1-7,10,18,22,26H,8-9,11-13H2,(H,21,25)(H,23,24)/t18-/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	4.07E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50308295 ((S)-7-(2-(Hydroxyamino)-2-oxoethoxy)-N-o-tolyl-1,2...) Show SMILES Cc1ccccc1NC(=O)[C@@H]1Cc2ccc(OCC(=O)NO)cc2CN1 |r| Show InChI InChI=1S/C19H21N3O4/c1-12-4-2-3-5-16(12)21-19(24)17-9-13-6-7-15(8-14(13)10-20-17)26-11-18(23)22-25/h2-8,17,20,25H,9-11H2,1H3,(H,21,24)(H,22,23)/t17-/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	4.13E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 expressed in Escherichia coli assessed as Boc-Lys (acetyl)-AMC substrate hydrolysis by fluorimetric assay				Bioorg Med Chem 18: 1761-72 (2010) Article DOI: 10.1016/j.bmc.2010.01.060 BindingDB Entry DOI: 10.7270/Q2JD4WX3
					More data for this Ligand-Target Pair

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