Compile Data Set for Download or QSAR

Found 97 hits with Last Name = 'boggio' and Initial = 'r'   

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 (Homo sapiens (Human))	BDBM50141381 (CHEMBL3758184) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(CCc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(12-4-13-26(17-24)14-11-18-5-2-1-3-6-18)30-22-9-7-19(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
DAC SRL Curated by ChEMBL					Assay Description Inhibition of HDAC3 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay				J Med Chem 54: 3051-64 (2011) Article DOI: 10.1021/jm200146u BindingDB Entry DOI: 10.7270/Q21V5FD6
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481203 (CHEMBL569327) Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-4-2-3-5-21(19)22(28)10-7-18-6-8-20(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-7+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481193 (CHEMBL569731) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1 Show InChI InChI=1S/C22H24N4O3/c1-25-13-15-26(16-14-25)20-9-5-17(6-10-20)21(27)11-7-18-3-2-4-19(23-18)8-12-22(28)24-29/h2-12,29H,13-16H2,1H3,(H,24,28)/b11-7+,12-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481189 (CHEMBL569546) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1 Show InChI InChI=1S/C24H27N3O3/c1-26-13-15-27(16-14-26)18-21-5-9-22(10-6-21)23(28)11-7-19-3-2-4-20(17-19)8-12-24(29)25-30/h2-12,17,30H,13-16,18H2,1H3,(H,25,29)/b11-7+,12-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481200 (CHEMBL569715) Show SMILES ONC(=O)\C=C\c1cccc(\C=C\C(=O)c2ccccc2)n1 Show InChI InChI=1S/C17H14N2O3/c20-16(13-5-2-1-3-6-13)11-9-14-7-4-8-15(18-14)10-12-17(21)19-22/h1-12,22H,(H,19,21)/b11-9+,12-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481188 (CHEMBL571993) Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C23H25N3O3/c1-25-12-14-26(15-13-25)21-7-3-6-20(17-21)22(27)10-8-18-4-2-5-19(16-18)9-11-23(28)24-29/h2-11,16-17,29H,12-15H2,1H3,(H,24,28)/b10-8+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481187 (CHEMBL578393) Show SMILES ONC(=O)\C=C\c1ccc(\C=C\C(=O)c2ccccc2)cn1 Show InChI InChI=1S/C17H14N2O3/c20-16(14-4-2-1-3-5-14)10-7-13-6-8-15(18-12-13)9-11-17(21)19-22/h1-12,22H,(H,19,21)/b10-7+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481186 (CHEMBL569959) Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1 Show InChI InChI=1S/C24H27N3O3/c1-26-12-14-27(15-13-26)18-21-6-3-7-22(17-21)23(28)10-8-19-4-2-5-20(16-19)9-11-24(29)25-30/h2-11,16-17,30H,12-15,18H2,1H3,(H,25,29)/b10-8+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	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	25.7	n/a	n/a	n/a	n/a	n/a	n/a
DAC SRL Curated by ChEMBL					Assay Description Inhibition of HDAC6 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay				J Med Chem 54: 3051-64 (2011) Article DOI: 10.1021/jm200146u BindingDB Entry DOI: 10.7270/Q21V5FD6
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481185 (CHEMBL583545) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C23H25N3O3/c1-25-13-15-26(16-14-25)21-9-7-20(8-10-21)22(27)11-5-18-3-2-4-19(17-18)6-12-23(28)24-29/h2-12,17,29H,13-16H2,1H3,(H,24,28)/b11-5+,12-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481199 (CHEMBL570214) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-19-2-6-20(7-3-19)22(28)10-5-18-4-8-21(24-16-18)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-5+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141185 (CHEMBL3759550) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(CCc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(11-13-25(16-23)12-10-17-4-2-1-3-5-17)29-21-8-6-18(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)/b9-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					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	29	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481184 (CHEMBL571103) Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1ccc(\C=C\C(=O)NO)nc1 Show InChI InChI=1S/C22H24N4O3/c1-25-11-13-26(14-12-25)20-4-2-3-18(15-20)21(27)9-6-17-5-7-19(23-16-17)8-10-22(28)24-29/h2-10,15-16,29H,11-14H2,1H3,(H,24,28)/b9-6+,10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50141139 (CHEMBL3759808) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3 Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(11-4-13-26(14-12-24)17-19-5-2-1-3-6-19)30-22-9-7-18(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481192 (CHEMBL571104) Show SMILES CN1CCN(CC1)c1cccc(c1)C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1 Show InChI InChI=1S/C22H24N4O3/c1-25-12-14-26(15-13-25)20-7-2-4-17(16-20)21(27)10-8-18-5-3-6-19(23-18)9-11-22(28)24-29/h2-11,16,29H,12-15H2,1H3,(H,24,28)/b10-8+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481198 (CHEMBL577513) Show SMILES CN1CCN(CC1)c1ccccc1C(=O)\C=C\c1cccc(\C=C\C(=O)NO)n1 Show InChI InChI=1S/C22H24N4O3/c1-25-13-15-26(16-14-25)20-8-3-2-7-19(20)21(27)11-9-17-5-4-6-18(23-17)10-12-22(28)24-29/h2-12,29H,13-16H2,1H3,(H,24,28)/b11-9+,12-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141361 (CHEMBL3758716) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccc(F)cc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C23H23FN2O4/c24-18-6-2-17(3-7-18)14-26-11-1-10-23(15-26)13-20(27)19-12-16(4-8-21(19)30-23)5-9-22(28)25-29/h2-9,12,29H,1,10-11,13-15H2,(H,25,28)/b9-5+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481183 (CHEMBL568872) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)n2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-13-15-27(16-14-26)17-18-5-7-19(8-6-18)22(28)11-9-20-3-2-4-21(24-20)10-12-23(29)25-30/h2-12,30H,13-17H2,1H3,(H,25,29)/b11-9+,12-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481181 (CHEMBL584733) Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2cccc(\C=C\C(=O)NO)n2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-13-15-27(16-14-26)17-18-5-2-3-8-21(18)22(28)11-9-19-6-4-7-20(24-19)10-12-23(29)25-30/h2-12,30H,13-17H2,1H3,(H,25,29)/b11-9+,12-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481182 (CHEMBL569748) Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2ccc(\C=C\C(=O)NO)nc2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-11-13-27(14-12-26)17-19-3-2-4-20(15-19)22(28)9-6-18-5-7-21(24-16-18)8-10-23(29)25-30/h2-10,15-16,30H,11-14,17H2,1H3,(H,25,29)/b9-6+,10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 64: 273-84 (2013) Article DOI: 10.1016/j.ejmech.2013.03.061 BindingDB Entry DOI: 10.7270/Q2TT4SBV
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141241 (CHEMBL3758450) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C23H24N2O4/c26-20-14-23(11-4-12-25(16-23)15-18-5-2-1-3-6-18)29-21-9-7-17(13-19(20)21)8-10-22(27)24-28/h1-3,5-10,13,28H,4,11-12,14-16H2,(H,24,27)/b10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141241 (CHEMBL3758450) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C23H24N2O4/c26-20-14-23(11-4-12-25(16-23)15-18-5-2-1-3-6-18)29-21-9-7-17(13-19(20)21)8-10-22(27)24-28/h1-3,5-10,13,28H,4,11-12,14-16H2,(H,24,27)/b10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141608 (CHEMBL3758515) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(CCc1ccccc1)CC3 Show InChI InChI=1S/C25H28N2O4/c28-22-18-25(31-23-9-7-20(17-21(22)23)8-10-24(29)26-30)12-4-14-27(16-13-25)15-11-19-5-2-1-3-6-19/h1-3,5-10,17,30H,4,11-16,18H2,(H,26,29)/b10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481197 (CHEMBL569730) Show SMILES CN1CCN(Cc2cccc(c2)C(=O)\C=C\c2cccc(\C=C\C(=O)NO)n2)CC1 Show InChI InChI=1S/C23H26N4O3/c1-26-12-14-27(15-13-26)17-18-4-2-5-19(16-18)22(28)10-8-20-6-3-7-21(24-20)9-11-23(29)25-30/h2-11,16,30H,12-15,17H2,1H3,(H,25,29)/b10-8+,11-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141176 (CHEMBL3760098) Show SMILES Cn1cc(CN2CC3(C2)CC(=O)c2cc(\C=C\C(=O)NO)ccc2O3)c2ccccc12 Show InChI InChI=1S/C24H23N3O4/c1-26-12-17(18-4-2-3-5-20(18)26)13-27-14-24(15-27)11-21(28)19-10-16(6-8-22(19)31-24)7-9-23(29)25-30/h2-10,12,30H,11,13-15H2,1H3,(H,25,29)/b9-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 64: 273-84 (2013) Article DOI: 10.1016/j.ejmech.2013.03.061 BindingDB Entry DOI: 10.7270/Q2TT4SBV
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141144 (CHEMBL3759197) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C21H20N2O4/c24-18-11-21(13-23(14-21)12-16-4-2-1-3-5-16)27-19-8-6-15(10-17(18)19)7-9-20(25)22-26/h1-10,26H,11-14H2,(H,22,25)/b9-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50141139 (CHEMBL3759808) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3 Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(11-4-13-26(14-12-24)17-19-5-2-1-3-6-19)30-22-9-7-18(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+	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	72	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141139 (CHEMBL3759808) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CC(=O)c2c1)CCCN(Cc1ccccc1)CC3 Show InChI InChI=1S/C24H26N2O4/c27-21-16-24(11-4-13-26(14-12-24)17-19-5-2-1-3-6-19)30-22-9-7-18(15-20(21)22)8-10-23(28)25-29/h1-3,5-10,15,29H,4,11-14,16-17H2,(H,25,28)/b10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	73	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481180 (CHEMBL577946) Show SMILES CN1CCN(Cc2ccccc2C(=O)\C=C\c2cccc(\C=C\C(=O)NO)c2)CC1 Show InChI InChI=1S/C24H27N3O3/c1-26-13-15-27(16-14-26)18-21-7-2-3-8-22(21)23(28)11-9-19-5-4-6-20(17-19)10-12-24(29)25-30/h2-12,17,30H,13-16,18H2,1H3,(H,25,29)/b11-9+,12-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141178 (CHEMBL3759521) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CN(C3)C(=O)c3ccccc3)CC(=O)c2c1 Show InChI InChI=1S/C21H18N2O5/c24-17-11-21(12-23(13-21)20(26)15-4-2-1-3-5-15)28-18-8-6-14(10-16(17)18)7-9-19(25)22-27/h1-10,27H,11-13H2,(H,22,25)/b9-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50141111 (CHEMBL3758901) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C22H22N2O4/c25-19-13-22(10-11-24(15-22)14-17-4-2-1-3-5-17)28-20-8-6-16(12-18(19)20)7-9-21(26)23-27/h1-9,12,27H,10-11,13-15H2,(H,23,26)/b9-7+	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	82	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC2 (unknown origin)				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141241 (CHEMBL3758450) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCCN(Cc4ccccc4)C3)CC(=O)c2c1 Show InChI InChI=1S/C23H24N2O4/c26-20-14-23(11-4-12-25(16-23)15-18-5-2-1-3-6-18)29-21-9-7-17(13-19(20)21)8-10-22(27)24-28/h1-3,5-10,13,28H,4,11-12,14-16H2,(H,24,27)/b10-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481190 (CHEMBL569326) Show SMILES ONC(=O)\C=C\c1cccc(\C=C\C(=O)c2ccccc2)c1 Show InChI InChI=1S/C18H15NO3/c20-17(16-7-2-1-3-8-16)11-9-14-5-4-6-15(13-14)10-12-18(21)19-22/h1-13,22H,(H,19,21)/b11-9+,12-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia 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
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50141184 (CHEMBL3759353) Show SMILES Cn1cc(CN2CCC3(C2)CC(=O)c2cc(\C=C\C(=O)NO)ccc2O3)c2ccccc12 Show InChI InChI=1S/C25H25N3O4/c1-27-14-18(19-4-2-3-5-21(19)27)15-28-11-10-25(16-28)13-22(29)20-12-17(6-8-23(20)32-25)7-9-24(30)26-31/h2-9,12,14,31H,10-11,13,15-16H2,1H3,(H,26,30)/b9-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50435605 (CHEMBL2390999) Show SMILES ONC(=O)\C=C\c1ccc2OC3(CCN(Cc4ccccc4)CC3)NC(=O)c2c1 Show InChI InChI=1S/C22H23N3O4/c26-20(24-28)9-7-16-6-8-19-18(14-16)21(27)23-22(29-19)10-12-25(13-11-22)15-17-4-2-1-3-5-17/h1-9,14,28H,10-13,15H2,(H,23,27)(H,24,26)/b9-7+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 64: 273-84 (2013) Article DOI: 10.1016/j.ejmech.2013.03.061 BindingDB Entry DOI: 10.7270/Q2TT4SBV
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50481204 (CHEMBL570215) Show SMILES CN1CCN(CC1)c1ccccc1C(=O)\C=C\c1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C23H25N3O3/c1-25-13-15-26(16-14-25)21-8-3-2-7-20(21)22(27)11-9-18-5-4-6-19(17-18)10-12-23(28)24-29/h2-12,17,29H,13-16H2,1H3,(H,24,28)/b11-9+,12-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	87	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of human HDAC extracted from human HeLa cells				J Med Chem 53: 822-39 (2010) Article DOI: 10.1021/jm901502p BindingDB Entry DOI: 10.7270/Q2CR5X5X
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50435604 (CHEMBL2390995) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccc(F)cc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H23FN2O4/c24-18-5-1-17(2-6-18)15-26-11-9-23(10-12-26)14-20(27)19-13-16(3-7-21(19)30-23)4-8-22(28)25-29/h1-8,13,29H,9-12,14-15H2,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Congenia s.r.l. Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 64: 273-84 (2013) Article DOI: 10.1016/j.ejmech.2013.03.061 BindingDB Entry DOI: 10.7270/Q2TT4SBV
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50435604 (CHEMBL2390995) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccc(F)cc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H23FN2O4/c24-18-5-1-17(2-6-18)15-26-11-9-23(10-12-26)14-20(27)19-13-16(3-7-21(19)30-23)4-8-22(28)25-29/h1-8,13,29H,9-12,14-15H2,(H,25,28)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 after 15 mins by fluorescence assay				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50361444 (CHEMBL1938433) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccccc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H24N2O4/c26-20-15-23(10-12-25(13-11-23)16-18-4-2-1-3-5-18)29-21-8-6-17(14-19(20)21)7-9-22(27)24-28/h1-9,14,28H,10-13,15-16H2,(H,24,27)	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	93.8	n/a	n/a	n/a	n/a	n/a	n/a
DAC SRL Curated by ChEMBL					Assay Description Inhibition of HDAC1 using carboxyfluorescein-labeled peptide as substrate after 17 hrs by fluorescence assay				J Med Chem 54: 3051-64 (2011) Article DOI: 10.1021/jm200146u BindingDB Entry DOI: 10.7270/Q21V5FD6
					More data for this Ligand-Target Pair
Histone deacetylase (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase (Homo sapiens (Human))	BDBM50435604 (CHEMBL2390995) Show SMILES ONC(=O)C=Cc1ccc2OC3(CCN(Cc4ccc(F)cc4)CC3)CC(=O)c2c1 |w:5.5| Show InChI InChI=1S/C23H23FN2O4/c24-18-5-1-17(2-6-18)15-26-11-9-23(10-12-26)14-20(27)19-13-16(3-7-21(19)30-23)4-8-22(28)25-29/h1-8,13,29H,9-12,14-15H2,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
European Institute of Oncology Curated by ChEMBL					Assay Description Inhibition of HDAC in human HeLa cells nuclear extract using Fluor de lys as substrate after 15 mins by fluorometric analysis				Eur J Med Chem 108: 53-67 (2016) Article DOI: 10.1016/j.ejmech.2015.11.010 BindingDB Entry DOI: 10.7270/Q2N87CN0
					More data for this Ligand-Target Pair

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