Compile Data Set for Download or QSAR

Found 39 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50047765   

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 1 (Homo sapiens (Human))	BDBM50188891 (CHEMBL3828518) Show SMILES COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1 Show InChI InChI=1S/C24H27N9O4/c1-31(24-25-12-16(13-26-24)23(34)30-35)14-18-27-19-21(32(18)2)28-20(15-4-6-17(36-3)7-5-15)29-22(19)33-8-10-37-11-9-33/h4-7,12-13,35H,8-11,14H2,1-3H3,(H,30,34)	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	0.450	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188898 (CHEMBL3828636) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1cccnc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C22H24N10O3/c1-30(22-24-11-15(12-25-22)21(33)29-34)13-16-26-17-19(31(16)2)27-18(14-4-3-5-23-10-14)28-20(17)32-6-8-35-9-7-32/h3-5,10-12,34H,6-9,13H2,1-2H3,(H,29,33)	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	0.490	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188899 (CHEMBL3827517) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccncc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C22H24N10O3/c1-30(22-24-11-15(12-25-22)21(33)29-34)13-16-26-17-19(31(16)2)27-18(14-3-5-23-6-4-14)28-20(17)32-7-9-35-10-8-32/h3-6,11-12,34H,7-10,13H2,1-2H3,(H,29,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188892 (CHEMBL3828492) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1cccc(O)c1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C23H25N9O4/c1-30(23-24-11-15(12-25-23)22(34)29-35)13-17-26-18-20(31(17)2)27-19(14-4-3-5-16(33)10-14)28-21(18)32-6-8-36-9-7-32/h3-5,10-12,33,35H,6-9,13H2,1-2H3,(H,29,34)	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	0.550	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188637 (CHEMBL3827814) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(N)cc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C23H26N10O3/c1-31(23-25-11-15(12-26-23)22(34)30-35)13-17-27-18-20(32(17)2)28-19(14-3-5-16(24)6-4-14)29-21(18)33-7-9-36-10-8-33/h3-6,11-12,35H,7-10,13,24H2,1-2H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.650	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188636 (CHEMBL3827296) Show SMILES CN(C)c1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1 Show InChI InChI=1S/C25H30N10O3/c1-32(2)18-7-5-16(6-8-18)21-29-22-20(23(30-21)35-9-11-38-12-10-35)28-19(34(22)4)15-33(3)25-26-13-17(14-27-25)24(36)31-37/h5-8,13-14,37H,9-12,15H2,1-4H3,(H,31,36)	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	0.810	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188726 (CHEMBL3827865) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)S(C)(=O)=O)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C24H27N9O5S/c1-31(24-25-12-16(13-26-24)23(34)30-35)14-18-27-19-21(32(18)2)28-20(29-22(19)33-8-10-38-11-9-33)15-4-6-17(7-5-15)39(3,36)37/h4-7,12-13,35H,8-11,14H2,1-3H3,(H,30,34)	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	0.850	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188729 (CHEMBL3828180) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc2OCOc2c1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C24H25N9O5/c1-31(24-25-10-15(11-26-24)23(34)30-35)12-18-27-19-21(32(18)2)28-20(29-22(19)33-5-7-36-8-6-33)14-3-4-16-17(9-14)38-13-37-16/h3-4,9-11,35H,5-8,12-13H2,1-2H3,(H,30,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.970	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188890 (CHEMBL3827794) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1 Show InChI InChI=1S/C26H31N9O6/c1-33(26-27-12-16(13-28-26)25(36)32-37)14-19-29-20-23(34(19)2)30-22(31-24(20)35-6-8-41-9-7-35)15-10-17(38-3)21(40-5)18(11-15)39-4/h10-13,37H,6-9,14H2,1-5H3,(H,32,36)	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	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188959 (CHEMBL3827894) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1cnc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C21H24N12O3/c1-31(21-25-9-13(10-26-21)19(34)30-35)11-14-27-15-17(32(14)2)28-16(12-7-23-20(22)24-8-12)29-18(15)33-3-5-36-6-4-33/h7-10,35H,3-6,11H2,1-2H3,(H,30,34)(H2,22,23,24)	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	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188897 (CHEMBL3827281) Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1 Show InChI InChI=1S/C23H26N10O4/c1-31(23-25-11-15(12-26-23)22(34)30-35)13-16-27-18-20(32(16)2)28-19(14-4-5-17(36-3)24-10-14)29-21(18)33-6-8-37-9-7-33/h4-5,10-12,35H,6-9,13H2,1-3H3,(H,30,34)	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	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188900 (CHEMBL3827738) Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(OC)cc1)N1CCOCC1 Show InChI InChI=1S/C25H29N9O4/c1-4-34-19(15-32(2)25-26-13-17(14-27-25)24(35)31-36)28-20-22(33-9-11-38-12-10-33)29-21(30-23(20)34)16-5-7-18(37-3)8-6-16/h5-8,13-14,36H,4,9-12,15H2,1-3H3,(H,31,35)	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	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188725 (CHEMBL3827650) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(C)cc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C24H27N9O3/c1-15-4-6-16(7-5-15)20-28-21-19(22(29-20)33-8-10-36-11-9-33)27-18(32(21)3)14-31(2)24-25-12-17(13-26-24)23(34)30-35/h4-7,12-13,35H,8-11,14H2,1-3H3,(H,30,34)	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	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188758 (CHEMBL3828408) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(Cl)c(c1)C(F)(F)F)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C24H23ClF3N9O3/c1-35(23-29-10-14(11-30-23)22(38)34-39)12-17-31-18-20(36(17)2)32-19(33-21(18)37-5-7-40-8-6-37)13-3-4-16(25)15(9-13)24(26,27)28/h3-4,9-11,39H,5-8,12H2,1-2H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50189006 (CHEMBL3826997) Show SMILES CCNc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1 Show InChI InChI=1S/C25H30N10O3/c1-4-26-18-7-5-16(6-8-18)21-30-22-20(23(31-21)35-9-11-38-12-10-35)29-19(34(22)3)15-33(2)25-27-13-17(14-28-25)24(36)32-37/h5-8,13-14,26,37H,4,9-12,15H2,1-3H3,(H,32,36)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188893 (CHEMBL3828747) Show SMILES CN(Cc1nc2c(nc(Cl)nc2n1C)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C17H20ClN9O3/c1-25(17-19-7-10(8-20-17)15(28)24-29)9-11-21-12-13(26(11)2)22-16(18)23-14(12)27-3-5-30-6-4-27/h7-8,29H,3-6,9H2,1-2H3,(H,24,28)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188895 (CHEMBL3827660) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C22H25N11O3/c1-31(22-25-10-14(11-26-22)21(34)30-35)12-16-27-17-19(32(16)2)28-18(13-3-4-15(23)24-9-13)29-20(17)33-5-7-36-8-6-33/h3-4,9-11,35H,5-8,12H2,1-2H3,(H2,23,24)(H,30,34)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188894 (CHEMBL3827004) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1cncnc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C21H23N11O3/c1-30(21-24-9-14(10-25-21)20(33)29-34)11-15-26-16-18(31(15)2)27-17(13-7-22-12-23-8-13)28-19(16)32-3-5-35-6-4-32/h7-10,12,34H,3-6,11H2,1-2H3,(H,29,33)	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	1.10	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188903 (CHEMBL3827612) Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1 Show InChI InChI=1S/C24H28N10O3/c1-3-34-18(14-32(2)24-26-12-16(13-27-24)23(35)31-36)28-19-21(33-8-10-37-11-9-33)29-20(30-22(19)34)15-4-6-17(25)7-5-15/h4-7,12-13,36H,3,8-11,14,25H2,1-2H3,(H,31,35)	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	1.40	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188909 (CHEMBL3827317) Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(OC)nc1)N1CCOCC1 Show InChI InChI=1S/C24H28N10O4/c1-4-34-17(14-32(2)24-26-12-16(13-27-24)23(35)31-36)28-19-21(33-7-9-38-10-8-33)29-20(30-22(19)34)15-5-6-18(37-3)25-11-15/h5-6,11-13,36H,4,7-10,14H2,1-3H3,(H,31,35)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188896 (CHEMBL3828628) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1cnc2ccccc2c1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C26H26N10O3/c1-34(26-28-13-18(14-29-26)25(37)33-38)15-20-30-21-23(35(20)2)31-22(32-24(21)36-7-9-39-10-8-36)17-11-16-5-3-4-6-19(16)27-12-17/h3-6,11-14,38H,7-10,15H2,1-2H3,(H,33,37)	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188889 (CHEMBL3828289) Show SMILES COc1ccc(cc1-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1)C(F)(F)F Show InChI InChI=1S/C25H26F3N9O4/c1-35(24-29-11-14(12-30-24)23(38)34-39)13-18-31-19-21(36(18)2)32-20(33-22(19)37-6-8-41-9-7-37)16-10-15(25(26,27)28)4-5-17(16)40-3/h4-5,10-12,39H,6-9,13H2,1-3H3,(H,34,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188640 (CHEMBL3827780) Show SMILES CCc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1 Show InChI InChI=1S/C25H29N9O3/c1-4-16-5-7-17(8-6-16)21-29-22-20(23(30-21)34-9-11-37-12-10-34)28-19(33(22)3)15-32(2)25-26-13-18(14-27-25)24(35)31-36/h5-8,13-14,36H,4,9-12,15H2,1-3H3,(H,31,35)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188906 (CHEMBL3828482) Show SMILES CCn1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C22H26N12O3/c1-3-34-15(12-32(2)22-26-10-14(11-27-22)20(35)31-36)28-16-18(33-4-6-37-7-5-33)29-17(30-19(16)34)13-8-24-21(23)25-9-13/h8-11,36H,3-7,12H2,1-2H3,(H,31,35)(H2,23,24,25)	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	2.60	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188888 (CHEMBL3828486) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)C(F)(F)F)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C24H24F3N9O3/c1-34(23-28-11-15(12-29-23)22(37)33-38)13-17-30-18-20(35(17)2)31-19(32-21(18)36-7-9-39-10-8-36)14-3-5-16(6-4-14)24(25,26)27/h3-6,11-12,38H,7-10,13H2,1-2H3,(H,33,37)	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	5.10	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188639 (CHEMBL3827489) Show SMILES CCCc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C)c2n1 Show InChI InChI=1S/C26H31N9O3/c1-4-5-17-6-8-18(9-7-17)22-30-23-21(24(31-22)35-10-12-38-13-11-35)29-20(34(23)3)16-33(2)26-27-14-19(15-28-26)25(36)32-37/h6-9,14-15,37H,4-5,10-13,16H2,1-3H3,(H,32,36)	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	6.20	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188638 (CHEMBL3828070) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1ccc(cc1)C(C)(C)C)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C27H33N9O3/c1-27(2,3)19-8-6-17(7-9-19)22-31-23-21(24(32-22)36-10-12-39-13-11-36)30-20(35(23)5)16-34(4)26-28-14-18(15-29-26)25(37)33-38/h6-9,14-15,38H,10-13,16H2,1-5H3,(H,33,37)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50189007 (CHEMBL3827398) Show SMILES [#6]-[#7](-[#6]-c1nc2c(nc(nc2n1-[#6])-c1ccc(cc1)-[#7](-[#6]\[#6]=[#6](\[#6])-[#6])-[#6]\[#6]=[#6](\[#6])-[#6])-[#7]-1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-c1ncc(cn1)-[#6](=O)-[#7]-[#8] Show InChI InChI=1S/C33H42N10O3/c1-22(2)11-13-42(14-12-23(3)4)26-9-7-24(8-10-26)29-37-30-28(31(38-29)43-15-17-46-18-16-43)36-27(41(30)6)21-40(5)33-34-19-25(20-35-33)32(44)39-45/h7-12,19-20,45H,13-18,21H2,1-6H3,(H,39,44)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188847 (CHEMBL3827056) Show SMILES CN(Cc1nc2c(nc(nc2n1C)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C25H23F6N9O3/c1-38(23-32-10-14(11-33-23)22(41)37-42)12-17-34-18-20(39(17)2)35-19(36-21(18)40-3-5-43-6-4-40)13-7-15(24(26,27)28)9-16(8-13)25(29,30)31/h7-11,42H,3-6,12H2,1-2H3,(H,37,41)	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
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188910 (CHEMBL3828337) Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C(C)C)c2n1 Show InChI InChI=1S/C25H30N10O4/c1-15(2)35-18(14-33(3)25-27-12-17(13-28-25)24(36)32-37)29-20-22(34-7-9-39-10-8-34)30-21(31-23(20)35)16-5-6-19(38-4)26-11-16/h5-6,11-13,15,37H,7-10,14H2,1-4H3,(H,32,36)	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	62	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188949 (CHEMBL3828188) Show SMILES COc1ccc(cn1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C3CCCC3)c2n1 Show InChI InChI=1S/C27H32N10O4/c1-35(27-29-14-18(15-30-27)26(38)34-39)16-20-31-22-24(36-9-11-41-12-10-36)32-23(17-7-8-21(40-2)28-13-17)33-25(22)37(20)19-5-3-4-6-19/h7-8,13-15,19,39H,3-6,9-12,16H2,1-2H3,(H,34,38)	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	67	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188901 (CHEMBL3827477) Show SMILES COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C(C)C)c2n1 Show InChI InChI=1S/C26H31N9O4/c1-16(2)35-20(15-33(3)26-27-13-18(14-28-26)25(36)32-37)29-21-23(34-9-11-39-12-10-34)30-22(31-24(21)35)17-5-7-19(38-4)8-6-17/h5-8,13-14,16,37H,9-12,15H2,1-4H3,(H,32,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188902 (CHEMBL3828135) Show SMILES COc1ccc(cc1)-c1nc(N2CCOCC2)c2nc(CN(C)c3ncc(cn3)C(=O)NO)n(C3CCCC3)c2n1 Show InChI InChI=1S/C28H33N9O4/c1-35(28-29-15-19(16-30-28)27(38)34-39)17-22-31-23-25(36-11-13-41-14-12-36)32-24(18-7-9-21(40-2)10-8-18)33-26(23)37(22)20-5-3-4-6-20/h7-10,15-16,20,39H,3-6,11-14,17H2,1-2H3,(H,34,38)	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	125	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188904 (CHEMBL3827881) Show SMILES CC(C)n1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1ccc(N)cc1)N1CCOCC1 Show InChI InChI=1S/C25H30N10O3/c1-15(2)35-19(14-33(3)25-27-12-17(13-28-25)24(36)32-37)29-20-22(34-8-10-38-11-9-34)30-21(31-23(20)35)16-4-6-18(26)7-5-16/h4-7,12-13,15,37H,8-11,14,26H2,1-3H3,(H,32,36)	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	165	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188905 (CHEMBL3828218) Show SMILES CN(Cc1nc2c(nc(nc2n1C1CCCC1)-c1ccc(N)cc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C27H32N10O3/c1-35(27-29-14-18(15-30-27)26(38)34-39)16-21-31-22-24(36-10-12-40-13-11-36)32-23(17-6-8-19(28)9-7-17)33-25(22)37(21)20-4-2-3-5-20/h6-9,14-15,20,39H,2-5,10-13,16,28H2,1H3,(H,34,38)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188907 (CHEMBL3827548) Show SMILES CC(C)n1c(CN(C)c2ncc(cn2)C(=O)NO)nc2c(nc(nc12)-c1cnc(N)nc1)N1CCOCC1 Show InChI InChI=1S/C23H28N12O3/c1-13(2)35-16(12-33(3)23-27-10-15(11-28-23)21(36)32-37)29-17-19(34-4-6-38-7-5-34)30-18(31-20(17)35)14-8-25-22(24)26-9-14/h8-11,13,37H,4-7,12H2,1-3H3,(H,32,36)(H2,24,25,26)	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	240	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50188908 (CHEMBL3828164) Show SMILES CN(Cc1nc2c(nc(nc2n1C1CCCC1)-c1cnc(N)nc1)N1CCOCC1)c1ncc(cn1)C(=O)NO Show InChI InChI=1S/C25H30N12O3/c1-35(25-29-12-16(13-30-25)23(38)34-39)14-18-31-19-21(36-6-8-40-9-7-36)32-20(15-10-27-24(26)28-11-15)33-22(19)37(18)17-4-2-3-5-17/h10-13,17,39H,2-9,14H2,1H3,(H,34,38)(H2,26,27,28)	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	300	n/a	n/a	n/a	n/a	n/a	n/a
West China Hospital of Sichuan University Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His/FLAG-tagged human recombinant HDAC1 expressed in baculovirus infected insect Sf9 cells using Ac-peptide-AMC ...				J Med Chem 59: 5488-504 (2016) Article DOI: 10.1021/acs.jmedchem.6b00579 BindingDB Entry DOI: 10.7270/Q2T155K0
					More data for this Ligand-Target Pair