Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50043542   

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 3 (Homo sapiens (Human))	BDBM50442739 (CHEMBL2442801) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C34H38N2O10/c1-41-27-12-19(13-28(42-2)33(27)38)30-22-15-25-26(46-18-45-25)16-23(22)32(24-17-44-34(39)31(24)30)35-20-8-7-9-21(14-20)43-11-6-4-3-5-10-29(37)36-40/h7-9,12-16,24,30-32,35,38,40H,3-6,10-11,17-18H2,1-2H3,(H,36,37)/t24-,30+,31-,32+/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	9.60	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442740 (CHEMBL2442800) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C34H38N2O10/c1-41-27-13-19(14-28(42-2)33(27)38)30-22-15-25-26(46-18-45-25)16-23(22)32(24-17-44-34(39)31(24)30)35-20-8-10-21(11-9-20)43-12-6-4-3-5-7-29(37)36-40/h8-11,13-16,24,30-32,35,38,40H,3-7,12,17-18H2,1-2H3,(H,36,37)/t24-,30+,31-,32+/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	49	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442737 (CHEMBL2442691) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C35H40N2O10/c1-42-28-14-20(15-29(43-2)34(28)39)31-23-16-26-27(47-19-46-26)17-24(23)33(25-18-45-35(40)32(25)31)36-21-9-11-22(12-10-21)44-13-7-5-3-4-6-8-30(38)37-41/h9-12,14-17,25,31-33,36,39,41H,3-8,13,18-19H2,1-2H3,(H,37,38)/t25-,31+,32-,33+/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	53	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442721 (CHEMBL2442797) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C33H36N2O10/c1-40-26-12-18(13-27(41-2)32(26)37)29-21-14-24-25(45-17-44-24)15-22(21)31(23-16-43-33(38)30(23)29)34-19-7-9-20(10-8-19)42-11-5-3-4-6-28(36)35-39/h7-10,12-15,23,29-31,34,37,39H,3-6,11,16-17H2,1-2H3,(H,35,36)/t23-,29+,30-,31+/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	69	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442736 (CHEMBL2442692) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCCCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C35H40N2O10/c1-42-28-13-20(14-29(43-2)34(28)39)31-23-16-26-27(47-19-46-26)17-24(23)33(25-18-45-35(40)32(25)31)36-21-9-8-10-22(15-21)44-12-7-5-3-4-6-11-30(38)37-41/h8-10,13-17,25,31-33,36,39,41H,3-7,11-12,18-19H2,1-2H3,(H,37,38)/t25-,31+,32-,33+/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	69	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442720 (CHEMBL2442798) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C33H36N2O10/c1-40-26-11-18(12-27(41-2)32(26)37)29-21-14-24-25(45-17-44-24)15-22(21)31(23-16-43-33(38)30(23)29)34-19-7-6-8-20(13-19)42-10-5-3-4-9-28(36)35-39/h6-8,11-15,23,29-31,34,37,39H,3-5,9-10,16-17H2,1-2H3,(H,35,36)/t23-,29+,30-,31+/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	81	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					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	110	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442723 (CHEMBL2442795) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C32H34N2O10/c1-39-25-10-17(11-26(40-2)31(25)36)28-20-13-23-24(44-16-43-23)14-21(20)30(22-15-42-32(37)29(22)28)33-18-6-5-7-19(12-18)41-9-4-3-8-27(35)34-38/h5-7,10-14,22,28-30,33,36,38H,3-4,8-9,15-16H2,1-2H3,(H,34,35)/t22-,28+,29-,30+/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	111	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442728 (CHEMBL2442790) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(NC(=O)CCCCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C35H39N3O10/c1-44-27-12-19(13-28(45-2)34(27)41)31-22-15-25-26(48-18-47-25)16-23(22)33(24-17-46-35(42)32(24)31)37-21-9-7-8-20(14-21)36-29(39)10-5-3-4-6-11-30(40)38-43/h7-9,12-16,24,31-33,37,41,43H,3-6,10-11,17-18H2,1-2H3,(H,36,39)(H,38,40)/t24-,31+,32-,33+/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	130	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442738 (CHEMBL2442802) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccccc2OCCCCCCC(=O)NO)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C34H38N2O10/c1-41-27-13-19(14-28(42-2)33(27)38)30-20-15-25-26(46-18-45-25)16-21(20)32(22-17-44-34(39)31(22)30)35-23-9-6-7-10-24(23)43-12-8-4-3-5-11-29(37)36-40/h6-7,9-10,13-16,22,30-32,35,38,40H,3-5,8,11-12,17-18H2,1-2H3,(H,36,37)/t22-,30+,31-,32+/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	155	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442719 (CHEMBL2442799) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccccc2OCCCCCC(=O)NO)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C33H36N2O10/c1-40-26-12-18(13-27(41-2)32(26)37)29-19-14-24-25(45-17-44-24)15-20(19)31(21-16-43-33(38)30(21)29)34-22-8-5-6-9-23(22)42-11-7-3-4-10-28(36)35-39/h5-6,8-9,12-15,21,29-31,34,37,39H,3-4,7,10-11,16-17H2,1-2H3,(H,35,36)/t21-,29+,30-,31+/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	188	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442727 (CHEMBL2442791) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C31H32N2O10/c1-38-24-10-16(11-25(39-2)30(24)35)27-19-12-22-23(43-15-42-22)13-20(19)29(21-14-41-31(36)28(21)27)32-17-5-7-18(8-6-17)40-9-3-4-26(34)33-37/h5-8,10-13,21,27-29,32,35,37H,3-4,9,14-15H2,1-2H3,(H,33,34)/t21-,27+,28-,29+/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	193	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442735 (CHEMBL2442693) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccccc2OCCCCCCCC(=O)NO)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C35H40N2O10/c1-42-28-14-20(15-29(43-2)34(28)39)31-21-16-26-27(47-19-46-26)17-22(21)33(23-18-45-35(40)32(23)31)36-24-10-7-8-11-25(24)44-13-9-5-3-4-6-12-30(38)37-41/h7-8,10-11,14-17,23,31-33,36,39,41H,3-6,9,12-13,18-19H2,1-2H3,(H,37,38)/t23-,31+,32-,33+/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	217	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442731 (CHEMBL2442698) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(NC(=O)CCCCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C35H39N3O10/c1-44-27-13-19(14-28(45-2)34(27)41)31-22-15-25-26(48-18-47-25)16-23(22)33(24-17-46-35(42)32(24)31)37-21-11-9-20(10-12-21)36-29(39)7-5-3-4-6-8-30(40)38-43/h9-16,24,31-33,37,41,43H,3-8,17-18H2,1-2H3,(H,36,39)(H,38,40)/t24-,31+,32-,33+/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	230	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442724 (CHEMBL2442794) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C32H34N2O10/c1-39-25-11-17(12-26(40-2)31(25)36)28-20-13-23-24(44-16-43-23)14-21(20)30(22-15-42-32(37)29(22)28)33-18-6-8-19(9-7-18)41-10-4-3-5-27(35)34-38/h6-9,11-14,22,28-30,33,36,38H,3-5,10,15-16H2,1-2H3,(H,34,35)/t22-,28+,29-,30+/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	242	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442732 (CHEMBL2442697) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(NC(=O)CCCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C34H37N3O10/c1-43-26-12-18(13-27(44-2)33(26)40)30-21-14-24-25(47-17-46-24)15-22(21)32(23-16-45-34(41)31(23)30)36-20-10-8-19(9-11-20)35-28(38)6-4-3-5-7-29(39)37-42/h8-15,23,30-32,36,40,42H,3-7,16-17H2,1-2H3,(H,35,38)(H,37,39)/t23-,30+,31-,32+/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	520	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442729 (CHEMBL2442789) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(NC(=O)CCCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C34H37N3O10/c1-43-26-11-18(12-27(44-2)33(26)40)30-21-14-24-25(47-17-46-24)15-22(21)32(23-16-45-34(41)31(23)30)36-20-8-6-7-19(13-20)35-28(38)9-4-3-5-10-29(39)37-42/h6-8,11-15,23,30-32,36,40,42H,3-5,9-10,16-17H2,1-2H3,(H,35,38)(H,37,39)/t23-,30+,31-,32+/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	590	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442726 (CHEMBL2442792) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(OCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C31H32N2O10/c1-38-24-9-16(10-25(39-2)30(24)35)27-19-12-22-23(43-15-42-22)13-20(19)29(21-14-41-31(36)28(21)27)32-17-5-3-6-18(11-17)40-8-4-7-26(34)33-37/h3,5-6,9-13,21,27-29,32,35,37H,4,7-8,14-15H2,1-2H3,(H,33,34)/t21-,27+,28-,29+/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	767	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442722 (CHEMBL2442796) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccccc2OCCCCC(=O)NO)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C32H34N2O10/c1-39-25-11-17(12-26(40-2)31(25)36)28-18-13-23-24(44-16-43-23)14-19(18)30(20-15-42-32(37)29(20)28)33-21-7-3-4-8-22(21)41-10-6-5-9-27(35)34-38/h3-4,7-8,11-14,20,28-30,33,36,38H,5-6,9-10,15-16H2,1-2H3,(H,34,35)/t20-,28+,29-,30+/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	899	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442725 (CHEMBL2442793) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccccc2OCCCC(=O)NO)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C31H32N2O10/c1-38-24-10-16(11-25(39-2)30(24)35)27-17-12-22-23(43-15-42-22)13-18(17)29(19-14-41-31(36)28(19)27)32-20-6-3-4-7-21(20)40-9-5-8-26(34)33-37/h3-4,6-7,10-13,19,27-29,32,35,37H,5,8-9,14-15H2,1-2H3,(H,33,34)/t19-,27+,28-,29+/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	1.44E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					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	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442733 (CHEMBL2442696) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(NC(=O)CCCCC(=O)NO)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C33H35N3O10/c1-42-25-11-17(12-26(43-2)32(25)39)29-20-13-23-24(46-16-45-23)14-21(20)31(22-15-44-33(40)30(22)29)35-19-9-7-18(8-10-19)34-27(37)5-3-4-6-28(38)36-41/h7-14,22,29-31,35,39,41H,3-6,15-16H2,1-2H3,(H,34,37)(H,36,38)/t22-,29+,30-,31+/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	1.69E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442730 (CHEMBL2442699) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2cccc(NC(=O)CCCCC(=O)NO)c2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C33H35N3O10/c1-42-25-10-17(11-26(43-2)32(25)39)29-20-13-23-24(46-16-45-23)14-21(20)31(22-15-44-33(40)30(22)29)35-19-7-5-6-18(12-19)34-27(37)8-3-4-9-28(38)36-41/h5-7,10-14,22,29-31,35,39,41H,3-4,8-9,15-16H2,1-2H3,(H,34,37)(H,36,38)/t22-,29+,30-,31+/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	2.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50442734 (CHEMBL2442694) Show SMILES COc1cc(cc(OC)c1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](Nc2ccc(OCCCCCCC(=O)Nc3ccccc3N)cc2)c2cc3OCOc3cc12 |r| Show InChI InChI=1S/C40H43N3O9/c1-47-33-17-23(18-34(48-2)39(33)45)36-26-19-31-32(52-22-51-31)20-27(26)38(28-21-50-40(46)37(28)36)42-24-12-14-25(15-13-24)49-16-8-4-3-5-11-35(44)43-30-10-7-6-9-29(30)41/h6-7,9-10,12-15,17-20,28,36-38,42,45H,3-5,8,11,16,21-22,41H2,1-2H3,(H,43,44)/t28-,36+,37-,38+/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	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
East China Normal University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 expressed in baculovirus infected insect high5 cells using Ac-Lys-Tyr-Lys (epsilon-acetyl)-AMC as substrate aft...				Bioorg Med Chem 21: 6981-95 (2013) Article DOI: 10.1016/j.bmc.2013.09.023 BindingDB Entry DOI: 10.7270/Q2CC124T
					More data for this Ligand-Target Pair