Compile Data Set for Download or QSAR

Found 30 hits Enz. Inhib. hit(s) with all data for entry = 50045748   

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 2 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50079499 (CHEMBL3417212) Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H35N3O7S/c1-45-31-15-12-25-26(20-30(31)42)28(14-11-22-19-32(46-2)35(47-3)36(48-4)34(22)25)40-37(43)23-7-5-8-24(17-23)38(44)41-29-18-21(10-13-27(29)39)33-9-6-16-49-33/h5-10,12-13,15-20,28H,11,14,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50079475 (CHEMBL3417214) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H37N3O6S/c1-44-32-16-13-26-27(20-31(32)42)29(15-12-25-19-33(45-2)36(46-3)37(47-4)35(25)26)40-21-22-7-9-23(10-8-22)38(43)41-30-18-24(11-14-28(30)39)34-6-5-17-48-34/h5-11,13-14,16-20,29,40H,12,15,21,39H2,1-4H3,(H,41,43)/t29-/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	270	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50079497 (CHEMBL3417210) Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H35N3O7S/c1-45-31-16-13-25-26(20-30(31)42)28(15-12-24-19-32(46-2)35(47-3)36(48-4)34(24)25)40-37(43)21-7-9-22(10-8-21)38(44)41-29-18-23(11-14-27(29)39)33-6-5-17-49-33/h5-11,13-14,16-20,28H,12,15,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/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	380	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM24624 (CHEMBL272980 | MGCD-0103 | MGCD0103 | N-(2-aminoph...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CNc2nccc(n2)-c2cccnc2)cc1 Show InChI InChI=1S/C23H20N6O/c24-19-5-1-2-6-21(19)28-22(30)17-9-7-16(8-10-17)14-27-23-26-13-11-20(29-23)18-4-3-12-25-15-18/h1-13,15H,14,24H2,(H,28,30)(H,26,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	390	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50079475 (CHEMBL3417214) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H37N3O6S/c1-44-32-16-13-26-27(20-31(32)42)29(15-12-25-19-33(45-2)36(46-3)37(47-4)35(25)26)40-21-22-7-9-23(10-8-22)38(43)41-30-18-24(11-14-28(30)39)34-6-5-17-48-34/h5-11,13-14,16-20,29,40H,12,15,21,39H2,1-4H3,(H,41,43)/t29-/m0/s1	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	1.47E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50079499 (CHEMBL3417212) Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H35N3O7S/c1-45-31-15-12-25-26(20-30(31)42)28(14-11-22-19-32(46-2)35(47-3)36(48-4)34(22)25)40-37(43)23-7-5-8-24(17-23)38(44)41-29-18-21(10-13-27(29)39)33-9-6-16-49-33/h5-10,12-13,15-20,28H,11,14,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50079499 (CHEMBL3417212) Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H35N3O7S/c1-45-31-15-12-25-26(20-30(31)42)28(14-11-22-19-32(46-2)35(47-3)36(48-4)34(22)25)40-37(43)23-7-5-8-24(17-23)38(44)41-29-18-21(10-13-27(29)39)33-9-6-16-49-33/h5-10,12-13,15-20,28H,11,14,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50079497 (CHEMBL3417210) Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H35N3O7S/c1-45-31-16-13-25-26(20-30(31)42)28(15-12-24-19-32(46-2)35(47-3)36(48-4)34(24)25)40-37(43)21-7-9-22(10-8-21)38(44)41-29-18-23(11-14-27(29)39)33-6-5-17-49-33/h5-11,13-14,16-20,28H,12,15,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/m0/s1	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	1.97E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50079497 (CHEMBL3417210) Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H35N3O7S/c1-45-31-16-13-25-26(20-30(31)42)28(15-12-24-19-32(46-2)35(47-3)36(48-4)34(24)25)40-37(43)21-7-9-22(10-8-21)38(44)41-29-18-23(11-14-27(29)39)33-6-5-17-49-33/h5-11,13-14,16-20,28H,12,15,39H2,1-4H3,(H,40,43)(H,41,44)/t28-/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	2.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50079475 (CHEMBL3417214) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H37N3O6S/c1-44-32-16-13-26-27(20-31(32)42)29(15-12-25-19-33(45-2)36(46-3)37(47-4)35(25)26)40-21-22-7-9-23(10-8-22)38(43)41-30-18-24(11-14-28(30)39)34-6-5-17-48-34/h5-11,13-14,16-20,29,40H,12,15,21,39H2,1-4H3,(H,41,43)/t29-/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	3.32E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50079498 (CHEMBL3417211) Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H33N3O7/c1-41-28-15-13-22-23(18-27(28)38)25(14-12-19-17-29(42-2)31(43-3)32(44-4)30(19)22)36-33(39)20-8-7-9-21(16-20)34(40)37-26-11-6-5-10-24(26)35/h5-11,13,15-18,25H,12,14,35H2,1-4H3,(H,36,39)(H,37,40)/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	4.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50079494 (CHEMBL3417292) Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H37N3O6S/c1-44-32-15-12-26-27(20-31(32)42)29(14-11-24-19-33(45-2)36(46-3)37(47-4)35(24)26)40-21-22-7-5-8-25(17-22)38(43)41-30-18-23(10-13-28(30)39)34-9-6-16-48-34/h5-10,12-13,15-20,29,40H,11,14,21,39H2,1-4H3,(H,41,43)/t29-/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	5.41E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50079493 (CHEMBL3417213) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H35N3O6/c1-40-29-16-14-23-24(18-28(29)38)26(15-13-22-17-30(41-2)32(42-3)33(43-4)31(22)23)36-19-20-9-11-21(12-10-20)34(39)37-27-8-6-5-7-25(27)35/h5-12,14,16-18,26,36H,13,15,19,35H2,1-4H3,(H,37,39)/t26-/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	6.73E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50079498 (CHEMBL3417211) Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H33N3O7/c1-41-28-15-13-22-23(18-27(28)38)25(14-12-19-17-29(42-2)31(43-3)32(44-4)30(19)22)36-33(39)20-8-7-9-21(16-20)34(40)37-26-11-6-5-10-24(26)35/h5-11,13,15-18,25H,12,14,35H2,1-4H3,(H,36,39)(H,37,40)/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	9.62E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50079496 (CHEMBL3417209) Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H33N3O7/c1-41-28-16-14-22-23(18-27(28)38)25(15-13-21-17-29(42-2)31(43-3)32(44-4)30(21)22)36-33(39)19-9-11-20(12-10-19)34(40)37-26-8-6-5-7-24(26)35/h5-12,14,16-18,25H,13,15,35H2,1-4H3,(H,36,39)(H,37,40)/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	1.04E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50079498 (CHEMBL3417211) Show SMILES COc1cc2CC[C@H](NC(=O)c3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H33N3O7/c1-41-28-15-13-22-23(18-27(28)38)25(14-12-19-17-29(42-2)31(43-3)32(44-4)30(19)22)36-33(39)20-8-7-9-21(16-20)34(40)37-26-11-6-5-10-24(26)35/h5-11,13,15-18,25H,12,14,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/m0/s1	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	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50079493 (CHEMBL3417213) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H35N3O6/c1-40-29-16-14-23-24(18-28(29)38)26(15-13-22-17-30(41-2)32(42-3)33(43-4)31(22)23)36-19-20-9-11-21(12-10-20)34(39)37-27-8-6-5-7-25(27)35/h5-12,14,16-18,26,36H,13,15,19,35H2,1-4H3,(H,37,39)/t26-/m0/s1	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	1.12E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50079496 (CHEMBL3417209) Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H33N3O7/c1-41-28-16-14-22-23(18-27(28)38)25(15-13-21-17-29(42-2)31(43-3)32(44-4)30(21)22)36-33(39)19-9-11-20(12-10-19)34(40)37-26-8-6-5-7-24(26)35/h5-12,14,16-18,25H,13,15,35H2,1-4H3,(H,36,39)(H,37,40)/t25-/m0/s1	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	1.21E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50079493 (CHEMBL3417213) Show SMILES COc1cc2CC[C@H](NCc3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H35N3O6/c1-40-29-16-14-23-24(18-28(29)38)26(15-13-22-17-30(41-2)32(42-3)33(43-4)31(22)23)36-19-20-9-11-21(12-10-20)34(39)37-27-8-6-5-7-25(27)35/h5-12,14,16-18,26,36H,13,15,19,35H2,1-4H3,(H,37,39)/t26-/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	1.25E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50079496 (CHEMBL3417209) Show SMILES COc1cc2CC[C@H](NC(=O)c3ccc(cc3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H33N3O7/c1-41-28-16-14-22-23(18-27(28)38)25(15-13-21-17-29(42-2)31(43-3)32(44-4)30(21)22)36-33(39)19-9-11-20(12-10-19)34(40)37-26-8-6-5-7-24(26)35/h5-12,14,16-18,25H,13,15,35H2,1-4H3,(H,36,39)(H,37,40)/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	1.59E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50079494 (CHEMBL3417292) Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H37N3O6S/c1-44-32-15-12-26-27(20-31(32)42)29(14-11-24-19-33(45-2)36(46-3)37(47-4)35(24)26)40-21-22-7-5-8-25(17-22)38(43)41-30-18-23(10-13-28(30)39)34-9-6-16-48-34/h5-10,12-13,15-20,29,40H,11,14,21,39H2,1-4H3,(H,41,43)/t29-/m0/s1	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	1.97E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50079494 (CHEMBL3417292) Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3cc(ccc3N)-c3cccs3)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C38H37N3O6S/c1-44-32-15-12-26-27(20-31(32)42)29(14-11-24-19-33(45-2)36(46-3)37(47-4)35(24)26)40-21-22-7-5-8-25(17-22)38(43)41-30-18-23(10-13-28(30)39)34-9-6-16-48-34/h5-10,12-13,15-20,29,40H,11,14,21,39H2,1-4H3,(H,41,43)/t29-/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	2.55E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50079474 (CHEMBL3417215) Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/m0/s1	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	>3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50079474 (CHEMBL3417215) Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/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	>3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50079474 (CHEMBL3417215) Show SMILES COc1cc2CC[C@H](NCc3cccc(c3)C(=O)Nc3ccccc3N)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C34H35N3O6/c1-40-29-15-13-23-24(18-28(29)38)26(14-12-21-17-30(41-2)32(42-3)33(43-4)31(21)23)36-19-20-8-7-9-22(16-20)34(39)37-27-11-6-5-10-25(27)35/h5-11,13,15-18,26,36H,12,14,19,35H2,1-4H3,(H,37,39)/t26-/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	>3.43E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50014846 ((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC3 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50014846 ((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC2 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50014846 ((S)-N-(5,6,7,9-tetrahydro-1,2,3,10-tetramethoxy-9-...) Show SMILES COc1cc2CC[C@H](NC(C)=O)c3cc(=O)c(OC)ccc3-c2c(OC)c1OC |r| Show InChI InChI=1S/C22H25NO6/c1-12(24)23-16-8-6-13-10-19(27-3)21(28-4)22(29-5)20(13)14-7-9-18(26-2)17(25)11-15(14)16/h7,9-11,16H,6,8H2,1-5H3,(H,23,24)/t16-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC1 expressed in baculovirus infected insect High5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Eur J Med Chem 95: 127-35 (2015) Article DOI: 10.1016/j.ejmech.2015.03.035 BindingDB Entry DOI: 10.7270/Q24J0GVC
					More data for this Ligand-Target Pair