Compile Data Set for Download or QSAR

Found 77 hits Enz. Inhib. hit(s) with all data for entry = 50000278   

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/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244779 (CHEMBL4063938) Show SMILES CCCNNC(=O)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C29H31N5O4/c1-3-16-31-34-28(36)20-8-12-22(13-9-20)32-29(37)26(17-21-18-30-25-7-5-4-6-24(21)25)33-27(35)19-10-14-23(38-2)15-11-19/h4-15,18,26,30-31H,3,16-17H2,1-2H3,(H,32,37)(H,33,35)(H,34,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244785 (CHEMBL4069908) Show SMILES CCCNNC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H34N4O4/c1-3-18-33-35-30(36)17-10-22-8-13-27(14-9-22)39-21-25(19-24-20-32-29-7-5-4-6-28(24)29)34-31(37)23-11-15-26(38-2)16-12-23/h4-17,20,25,32-33H,3,18-19,21H2,1-2H3,(H,34,37)(H,35,36)/b17-10+/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244820 (CHEMBL4097567) Show SMILES CCCNNC(=O)CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H39N5O4/c1-3-17-32-34-27(35)12-6-4-5-9-18-30-29(37)26(19-22-20-31-25-11-8-7-10-24(22)25)33-28(36)21-13-15-23(38-2)16-14-21/h7-8,10-11,13-16,20,26,31-32H,3-6,9,12,17-19H2,1-2H3,(H,30,37)(H,33,36)(H,34,35)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244779 (CHEMBL4063938) Show SMILES CCCNNC(=O)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C29H31N5O4/c1-3-16-31-34-28(36)20-8-12-22(13-9-20)32-29(37)26(17-21-18-30-25-7-5-4-6-24(21)25)33-27(35)19-10-14-23(38-2)15-11-19/h4-15,18,26,30-31H,3,16-17H2,1-2H3,(H,32,37)(H,33,35)(H,34,36)/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	9.5	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Tested for binding affinity against delta opioid receptor by displacing [3H]- DSLET radioligand from rat brain membrane preparations				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244788 (CHEMBL4094199) Show SMILES CCCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C32H37N5O4/c1-3-4-7-18-35-37-31(39)24-12-10-22(11-13-24)20-34-32(40)29(19-25-21-33-28-9-6-5-8-27(25)28)36-30(38)23-14-16-26(41-2)17-15-23/h5-6,8-17,21,29,33,35H,3-4,7,18-20H2,1-2H3,(H,34,40)(H,36,38)(H,37,39)/t29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244811 (CHEMBL4070388) Show SMILES CCCNNC(=O)CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C28H37N5O4/c1-3-16-31-33-26(34)11-5-4-8-17-29-28(36)25(18-21-19-30-24-10-7-6-9-23(21)24)32-27(35)20-12-14-22(37-2)15-13-20/h6-7,9-10,12-15,19,25,30-31H,3-5,8,11,16-18H2,1-2H3,(H,29,36)(H,32,35)(H,33,34)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Binding affinity towards [3H]quipazine labeled 5-hydroxytryptamine 3 receptor sites in HG108-15				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244812 (CHEMBL4097113) Show SMILES CCCNNC(=O)CCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H41N5O4/c1-3-18-33-35-28(36)13-7-5-4-6-10-19-31-30(38)27(20-23-21-32-26-12-9-8-11-25(23)26)34-29(37)22-14-16-24(39-2)17-15-22/h8-9,11-12,14-17,21,27,32-33H,3-7,10,13,18-20H2,1-2H3,(H,31,38)(H,34,37)(H,35,36)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244819 (CHEMBL4066668) Show SMILES CCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-3-4-17-34-36-30(38)23-11-9-21(10-12-23)19-33-31(39)28(18-24-20-32-27-8-6-5-7-26(24)27)35-29(37)22-13-15-25(40-2)16-14-22/h5-16,20,28,32,34H,3-4,17-19H2,1-2H3,(H,33,39)(H,35,37)(H,36,38)/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	21	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244779 (CHEMBL4063938) Show SMILES CCCNNC(=O)c1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C29H31N5O4/c1-3-16-31-34-28(36)20-8-12-22(13-9-20)32-29(37)26(17-21-18-30-25-7-5-4-6-24(21)25)33-27(35)19-10-14-23(38-2)15-11-19/h4-15,18,26,30-31H,3,16-17H2,1-2H3,(H,32,37)(H,33,35)(H,34,36)/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	28	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244785 (CHEMBL4069908) Show SMILES CCCNNC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H34N4O4/c1-3-18-33-35-30(36)17-10-22-8-13-27(14-9-22)39-21-25(19-24-20-32-29-7-5-4-6-28(24)29)34-31(37)23-11-15-26(38-2)16-12-23/h4-17,20,25,32-33H,3,18-19,21H2,1-2H3,(H,34,37)(H,35,36)/b17-10+/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	29	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244788 (CHEMBL4094199) Show SMILES CCCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C32H37N5O4/c1-3-4-7-18-35-37-31(39)24-12-10-22(11-13-24)20-34-32(40)29(19-25-21-33-28-9-6-5-8-27(25)28)36-30(38)23-14-16-26(41-2)17-15-23/h5-6,8-17,21,29,33,35H,3-4,7,18-20H2,1-2H3,(H,34,40)(H,36,38)(H,37,39)/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	30	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/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	33	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50244786 (CHEMBL4104334) Show SMILES CCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C29H31N5O4/c1-3-32-34-28(36)21-10-8-19(9-11-21)17-31-29(37)26(16-22-18-30-25-7-5-4-6-24(22)25)33-27(35)20-12-14-23(38-2)15-13-20/h4-15,18,26,30,32H,3,16-17H2,1-2H3,(H,31,37)(H,33,35)(H,34,36)/t26-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	35	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/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	50	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244812 (CHEMBL4097113) Show SMILES CCCNNC(=O)CCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H41N5O4/c1-3-18-33-35-28(36)13-7-5-4-6-10-19-31-30(38)27(20-23-21-32-26-12-9-8-11-25(23)26)34-29(37)22-14-16-24(39-2)17-15-22/h8-9,11-12,14-17,21,27,32-33H,3-7,10,13,18-20H2,1-2H3,(H,31,38)(H,34,37)(H,35,36)/t27-/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	53	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244819 (CHEMBL4066668) Show SMILES CCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-3-4-17-34-36-30(38)23-11-9-21(10-12-23)19-33-31(39)28(18-24-20-32-27-8-6-5-7-26(24)27)35-29(37)22-13-15-25(40-2)16-14-22/h5-16,20,28,32,34H,3-4,17-19H2,1-2H3,(H,33,39)(H,35,37)(H,36,38)/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	54	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/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	63	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	65	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/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	78	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244811 (CHEMBL4070388) Show SMILES CCCNNC(=O)CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C28H37N5O4/c1-3-16-31-33-26(34)11-5-4-8-17-29-28(36)25(18-21-19-30-24-10-7-6-9-23(21)24)32-27(35)20-12-14-22(37-2)15-13-20/h6-7,9-10,12-15,19,25,30-31H,3-5,8,11,16-18H2,1-2H3,(H,29,36)(H,32,35)(H,33,34)/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	80	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244786 (CHEMBL4104334) Show SMILES CCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C29H31N5O4/c1-3-32-34-28(36)21-10-8-19(9-11-21)17-31-29(37)26(16-22-18-30-25-7-5-4-6-24(22)25)33-27(35)20-12-14-23(38-2)15-13-20/h4-15,18,26,30,32H,3,16-17H2,1-2H3,(H,31,37)(H,33,35)(H,34,36)/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	89	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/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	91	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244820 (CHEMBL4097567) Show SMILES CCCNNC(=O)CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H39N5O4/c1-3-17-32-34-27(35)12-6-4-5-9-18-30-29(37)26(19-22-20-31-25-11-8-7-10-24(22)25)33-28(36)21-13-15-23(38-2)16-14-21/h7-8,10-11,13-16,20,26,31-32H,3-6,9,12,17-19H2,1-2H3,(H,30,37)(H,33,36)(H,34,35)/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	92	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50244786 (CHEMBL4104334) Show SMILES CCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C29H31N5O4/c1-3-32-34-28(36)21-10-8-19(9-11-21)17-31-29(37)26(16-22-18-30-25-7-5-4-6-24(22)25)33-27(35)20-12-14-23(38-2)15-13-20/h4-15,18,26,30,32H,3,16-17H2,1-2H3,(H,31,37)(H,33,35)(H,34,36)/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	95	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	100	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	121	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	135	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	138	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	157	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	169	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	184	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal His-tagged HDAC3/N-terminal GST-tagged NCOR2 co-expressed in baculovirus expression system usi...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244820 (CHEMBL4097567) Show SMILES CCCNNC(=O)CCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C29H39N5O4/c1-3-17-32-34-27(35)12-6-4-5-9-18-30-29(37)26(19-22-20-31-25-11-8-7-10-24(22)25)33-28(36)21-13-15-23(38-2)16-14-21/h7-8,10-11,13-16,20,26,31-32H,3-6,9,12,17-19H2,1-2H3,(H,30,37)(H,33,36)(H,34,35)/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	191	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/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	194	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244819 (CHEMBL4066668) Show SMILES CCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H35N5O4/c1-3-4-17-34-36-30(38)23-11-9-21(10-12-23)19-33-31(39)28(18-24-20-32-27-8-6-5-7-26(24)27)35-29(37)22-13-15-25(40-2)16-14-22/h5-16,20,28,32,34H,3-4,17-19H2,1-2H3,(H,33,39)(H,35,37)(H,36,38)/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	194	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244812 (CHEMBL4097113) Show SMILES CCCNNC(=O)CCCCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C30H41N5O4/c1-3-18-33-35-28(36)13-7-5-4-6-10-19-31-30(38)27(20-23-21-32-26-12-9-8-11-25(23)26)34-29(37)22-14-16-24(39-2)17-15-22/h8-9,11-12,14-17,21,27,32-33H,3-7,10,13,18-20H2,1-2H3,(H,31,38)(H,34,37)(H,35,36)/t27-/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	199	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244811 (CHEMBL4070388) Show SMILES CCCNNC(=O)CCCCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(OC)cc1 |r| Show InChI InChI=1S/C28H37N5O4/c1-3-16-31-33-26(34)11-5-4-8-17-29-28(36)25(18-21-19-30-24-10-7-6-9-23(21)24)32-27(35)20-12-14-22(37-2)15-13-20/h6-7,9-10,12-15,19,25,30-31H,3-5,8,11,16-18H2,1-2H3,(H,29,36)(H,32,35)(H,33,34)/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	209	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	252	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/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	260	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244785 (CHEMBL4069908) Show SMILES CCCNNC(=O)\C=C\c1ccc(OC[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C31H34N4O4/c1-3-18-33-35-30(36)17-10-22-8-13-27(14-9-22)39-21-25(19-24-20-32-29-7-5-4-6-28(24)29)34-31(37)23-11-15-26(38-2)16-12-23/h4-17,20,25,32-33H,3,18-19,21H2,1-2H3,(H,34,37)(H,35,36)/b17-10+/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	283	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244778 (CHEMBL4086442) Show SMILES CCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C30H33N5O4/c1-3-16-33-35-29(37)22-10-8-20(9-11-22)18-32-30(38)27(17-23-19-31-26-7-5-4-6-25(23)26)34-28(36)21-12-14-24(39-2)15-13-21/h4-15,19,27,31,33H,3,16-18H2,1-2H3,(H,32,38)(H,34,36)(H,35,37)/t27-/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	287	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50244788 (CHEMBL4094199) Show SMILES CCCCCNNC(=O)c1ccc(CNC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(OC)cc2)cc1 |r| Show InChI InChI=1S/C32H37N5O4/c1-3-4-7-18-35-37-31(39)24-12-10-22(11-13-24)20-34-32(40)29(19-25-21-33-28-9-6-5-8-27(25)28)36-30(38)23-14-16-26(41-2)17-15-23/h5-6,8-17,21,29,33,35H,3-4,7,18-20H2,1-2H3,(H,34,40)(H,36,38)(H,37,39)/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	332	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50242050 (CHEMBL4085511) Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc(cc1)C(=O)Nc1ccccc1N |r| Show InChI InChI=1S/C33H31N5O4/c1-42-25-16-14-23(15-17-25)32(40)38-30(18-24-20-35-28-8-4-2-6-26(24)28)33(41)36-19-21-10-12-22(13-11-21)31(39)37-29-9-5-3-7-27(29)34/h2-17,20,30,35H,18-19,34H2,1H3,(H,36,41)(H,37,39)(H,38,40)/t30-/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	348	n/a	n/a	n/a	n/a	n/a	n/a
Medical University of South Carolina Curated by ChEMBL					Assay Description Inhibition of full length recombinant human C-terminal FLAG/His-tagged HDAC2 expressed in baculovirus expression system using Boc-Lys(acetyl)-AMC as ...				J Med Chem 61: 2589-2603 (2018) Article DOI: 10.1021/acs.jmedchem.8b00136 BindingDB Entry DOI: 10.7270/Q2QJ7KP9
					More data for this Ligand-Target Pair

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