Compile Data Set for Download or QSAR

Found 156 hits with Last Name = 'stenzel' and Initial = 'k'   

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))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC3 (unknown origin)/NCOR2 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed b...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM207629 (US9265734, R01 | US9796664, Compound R01) Show SMILES Cc1ccc(cc1)C(=O)NCCCCCC(=O)Nc1ccccc1N Show InChI InChI=1S/C20H25N3O2/c1-15-10-12-16(13-11-15)20(25)22-14-6-2-3-9-19(24)23-18-8-5-4-7-17(18)21/h4-5,7-8,10-13H,2-3,6,9,14,21H2,1H3,(H,22,25)(H,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC1 (unknown origin) using acetyl-Lys(Ac)-AMC as substrate preincubated for up to 3 hrs followed by substrate addition an...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50239858 (CHEMBL4067006) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1 Show InChI InChI=1S/C19H26N4O6/c1-12-9-17(28-3)21-18-14(12)10-13(27-2)11-15(18)20-19(25)23-29-8-6-4-5-7-16(24)22-26/h9-11,26H,4-8H2,1-3H3,(H,22,24)(H2,20,23,25)	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	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells Z-(Ac)Lys-AMC as substrate measur...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50239857 (CHEMBL4070745) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1 Show InChI InChI=1S/C17H22N4O5/c1-25-13-10-12-6-5-8-18-16(12)14(11-13)19-17(23)21-26-9-4-2-3-7-15(22)20-24/h5-6,8,10-11,24H,2-4,7,9H2,1H3,(H,20,22)(H2,19,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells Z-(Ac)Lys-AMC as substrate measur...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.70	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50239859 (CHEMBL4088276) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1 Show InChI InChI=1S/C18H24N4O5/c1-12-7-8-19-17-14(12)10-13(26-2)11-15(17)20-18(24)22-27-9-5-3-4-6-16(23)21-25/h7-8,10-11,25H,3-6,9H2,1-2H3,(H,21,23)(H2,20,22,24)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells Z-(Ac)Lys-AMC as substrate measur...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50369342 (CHEMBL4162282) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467538 (CHEMBL4280840) Show SMILES ONC(=O)c1ccc(CN(CC(=O)NC2CCCCC2)C(=O)c2cccc3ccccc23)cc1 Show InChI InChI=1S/C27H29N3O4/c31-25(28-22-9-2-1-3-10-22)18-30(17-19-13-15-21(16-14-19)26(32)29-34)27(33)24-12-6-8-20-7-4-5-11-23(20)24/h4-8,11-16,22,34H,1-3,9-10,17-18H2,(H,28,31)(H,29,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467535 (CHEMBL4283545) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H31N3O4/c1-17-8-11-21(14-18(17)2)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-9-12-20(13-10-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467536 (CHEMBL4278449) Show SMILES CCCCNC(=O)CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H30N4O4/c1-4-5-14-24-21(28)16-27(15-17-6-8-18(9-7-17)22(29)25-31)23(30)19-10-12-20(13-11-19)26(2)3/h6-13,31H,4-5,14-16H2,1-3H3,(H,24,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50509450 (CHEMBL4474656) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50509458 (CHEMBL4553076) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C38H37N5O3/c1-42(2)33-20-17-31(18-21-33)38(46)43(26-36(44)40-24-27-9-5-3-6-10-27)25-28-13-15-30(16-14-28)37(45)41-35-23-32(19-22-34(35)39)29-11-7-4-8-12-29/h3-23H,24-26,39H2,1-2H3,(H,40,44)(H,41,45)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467536 (CHEMBL4278449) Show SMILES CCCCNC(=O)CN(Cc1ccc(cc1)C(=O)NO)C(=O)c1ccc(cc1)N(C)C Show InChI InChI=1S/C23H30N4O4/c1-4-5-14-24-21(28)16-27(15-17-6-8-18(9-7-17)22(29)25-31)23(30)19-10-12-20(13-11-19)26(2)3/h6-13,31H,4-5,14-16H2,1-3H3,(H,24,28)(H,25,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239858 (CHEMBL4067006) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1 Show InChI InChI=1S/C19H26N4O6/c1-12-9-17(28-3)21-18-14(12)10-13(27-2)11-15(18)20-19(25)23-29-8-6-4-5-7-16(24)22-26/h9-11,26H,4-8H2,1-3H3,(H,22,24)(H2,20,23,25)	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	43	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Z-(Ac)Lys-AMC as subst...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					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	45	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Z-(Ac)Lys-AMC as subst...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50509443 (CHEMBL4587363) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(ccc1N)-c1ccccc1 Show InChI InChI=1S/C38H36N4O3/c1-26-19-27(2)21-33(20-26)38(45)42(25-36(43)40-23-28-9-5-3-6-10-28)24-29-13-15-31(16-14-29)37(44)41-35-22-32(17-18-34(35)39)30-11-7-4-8-12-30/h3-22H,23-25,39H2,1-2H3,(H,40,43)(H,41,44)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50239856 (CHEMBL2311793) Show SMILES ONC(=O)CCCCCONC(=O)Nc1cnc2ccccc2c1 Show InChI InChI=1S/C16H20N4O4/c21-15(19-23)8-2-1-5-9-24-20-16(22)18-13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,10-11,23H,1-2,5,8-9H2,(H,19,21)(H2,18,20,22)	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells Z-(Ac)Lys-AMC as substrate measur...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239857 (CHEMBL4070745) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1 Show InChI InChI=1S/C17H22N4O5/c1-25-13-10-12-6-5-8-18-16(12)14(11-13)19-17(23)21-26-9-4-2-3-7-15(22)20-24/h5-6,8,10-11,24H,2-4,7,9H2,1H3,(H,20,22)(H2,19,21,23)	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	52	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Z-(Ac)Lys-AMC as subst...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50509442 (CHEMBL4564332) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)Nc1cc(ccc1N)-c1ccccc1)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C36H40N4O3/c1-26-20-27(2)22-31(21-26)36(43)40(25-35(42)38-24-28-12-6-3-7-13-28)19-11-5-10-16-34(41)39-33-23-30(17-18-32(33)37)29-14-8-4-9-15-29/h3-4,6-9,12-15,17-18,20-23H,5,10-11,16,19,24-25,37H2,1-2H3,(H,38,42)(H,39,41)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467539 (CHEMBL4289151) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H29N3O4/c1-15-6-9-19(12-16(15)2)22(29)26(14-20(27)24-23(3,4)5)13-17-7-10-18(11-8-17)21(28)25-30/h6-12,30H,13-14H2,1-5H3,(H,24,27)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	57	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50509452 (CHEMBL4459617) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C32H32N4O3/c1-22-16-23(2)18-27(17-22)32(39)36(21-30(37)34-19-24-8-4-3-5-9-24)20-25-12-14-26(15-13-25)31(38)35-29-11-7-6-10-28(29)33/h3-18H,19-21,33H2,1-2H3,(H,34,37)(H,35,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50467537 (CHEMBL4292530) Show SMILES CC(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells using ZMAL as substrate me...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239859 (CHEMBL4088276) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1 Show InChI InChI=1S/C18H24N4O5/c1-12-7-8-19-17-14(12)10-13(26-2)11-15(17)20-18(24)22-27-9-5-3-4-6-16(23)21-25/h7-8,10-11,25H,3-6,9H2,1-2H3,(H,21,23)(H2,20,22,24)	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	77	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Z-(Ac)Lys-AMC as subst...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					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	79	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50369342 (CHEMBL4162282) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)Nc1ccc(C)cc1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H28N4O4/c1-18-4-12-22(13-5-18)27-24(31)17-30(16-19-6-8-20(9-7-19)25(32)28-34)26(33)21-10-14-23(15-11-21)29(2)3/h4-15,34H,16-17H2,1-3H3,(H,27,31)(H,28,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467537 (CHEMBL4292530) Show SMILES CC(C)c1ccc(cc1)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C26H33N3O4/c1-18(2)20-12-14-22(15-13-20)26(32)29(17-24(30)27-23-6-4-3-5-7-23)16-19-8-10-21(11-9-19)25(31)28-33/h8-15,18,23,33H,3-7,16-17H2,1-2H3,(H,27,30)(H,28,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	102	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human full length N-terminal GST-tagged HDAC6 expressed in baculovirus infected Sf9 insect cells ZMAL as substrate incubated for 90 min...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50509457 (CHEMBL4460434) Show SMILES Nc1ccccc1NC(=O)c1ccc(CN(CC(=O)NCc2ccccc2)C(=O)c2cccnc2)cc1 Show InChI InChI=1S/C29H27N5O3/c30-25-10-4-5-11-26(25)33-28(36)23-14-12-22(13-15-23)19-34(29(37)24-9-6-16-31-18-24)20-27(35)32-17-21-7-2-1-3-8-21/h1-16,18H,17,19-20,30H2,(H,32,35)(H,33,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	103	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	108	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of full length human recombinant N-terminal GST-tagged HDAC6 expressed in baculovirus infected sf9 cells Z-(Ac)Lys-AMC as substrate measur...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50509450 (CHEMBL4474656) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					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	111	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (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	146	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-ace...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50509445 (CHEMBL4578162) Show SMILES Nc1ccccc1NC(=O)CCCCCN(CC(=O)NCc1ccccc1)C(=O)c1cccc2ccccc12 Show InChI InChI=1S/C32H34N4O3/c33-28-18-8-9-19-29(28)35-30(37)20-5-2-10-21-36(23-31(38)34-22-24-12-3-1-4-13-24)32(39)27-17-11-15-25-14-6-7-16-26(25)27/h1,3-4,6-9,11-19H,2,5,10,20-23,33H2,(H,34,38)(H,35,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	163	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50509452 (CHEMBL4459617) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C32H32N4O3/c1-22-16-23(2)18-27(17-22)32(39)36(21-30(37)34-19-24-8-4-3-5-9-24)20-25-12-14-26(15-13-25)31(38)35-29-11-7-6-10-28(29)33/h3-18H,19-21,33H2,1-2H3,(H,34,37)(H,35,38)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239856 (CHEMBL2311793) Show SMILES ONC(=O)CCCCCONC(=O)Nc1cnc2ccccc2c1 Show InChI InChI=1S/C16H20N4O4/c21-15(19-23)8-2-1-5-9-24-20-16(22)18-13-10-12-6-3-4-7-14(12)17-11-13/h3-4,6-7,10-11,23H,1-2,5,8-9H2,(H,19,21)(H2,18,20,22)	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	189	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal FLAG/His-tagged HDAC1 expressed in baculovirus infected sf9 cells using Z-(Ac)Lys-AMC as subst...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50509455 (CHEMBL4466067) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)Nc1ccccc1N)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C30H36N4O3/c1-22-17-23(2)19-25(18-22)30(37)34(21-29(36)32-20-24-11-5-3-6-12-24)16-10-4-7-15-28(35)33-27-14-9-8-13-26(27)31/h3,5-6,8-9,11-14,17-19H,4,7,10,15-16,20-21,31H2,1-2H3,(H,32,36)(H,33,35)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	250	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50509446 (CHEMBL4541820) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(F)ccc1N Show InChI InChI=1S/C32H31FN4O3/c1-21-14-22(2)16-26(15-21)32(40)37(20-30(38)35-18-23-6-4-3-5-7-23)19-24-8-10-25(11-9-24)31(39)36-29-17-27(33)12-13-28(29)34/h3-17H,18-20,34H2,1-2H3,(H,35,38)(H,36,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	277	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50509450 (CHEMBL4474656) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	283	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal FLAG-tagged HDAC2 expressed in baculovirus infected Sf9 insect cells using Boc-Lys(epsilon-ace...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467535 (CHEMBL4283545) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC1CCCCC1)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C25H31N3O4/c1-17-8-11-21(14-18(17)2)25(31)28(16-23(29)26-22-6-4-3-5-7-22)15-19-9-12-20(13-10-19)24(30)27-32/h8-14,22,32H,3-7,15-16H2,1-2H3,(H,26,29)(H,27,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	304	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50509454 (CHEMBL4440413) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1ccccc1N)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C30H37N5O3/c1-34(2)25-18-16-24(17-19-25)30(38)35(22-29(37)32-21-23-11-5-3-6-12-23)20-10-4-7-15-28(36)33-27-14-9-8-13-26(27)31/h3,5-6,8-9,11-14,16-19H,4,7,10,15,20-22,31H2,1-2H3,(H,32,37)(H,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	312	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50509456 (CHEMBL4451376) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)Nc1cc(F)ccc1N)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C30H36FN5O3/c1-35(2)25-15-12-23(13-16-25)30(39)36(21-29(38)33-20-22-9-5-3-6-10-22)18-8-4-7-11-28(37)34-27-19-24(31)14-17-26(27)32/h3,5-6,9-10,12-17,19H,4,7-8,11,18,20-21,32H2,1-2H3,(H,33,38)(H,34,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	369	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50467539 (CHEMBL4289151) Show SMILES Cc1ccc(cc1C)C(=O)N(CC(=O)NC(C)(C)C)Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H29N3O4/c1-15-6-9-19(12-16(15)2)22(29)26(14-20(27)24-23(3,4)5)13-17-7-10-18(11-8-17)21(28)25-30/h6-12,30H,13-14H2,1-5H3,(H,24,27)(H,25,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	428	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant full length human C-terminal His/FLAG tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				Eur J Med Chem 158: 801-813 (2018) Article DOI: 10.1016/j.ejmech.2018.09.018 BindingDB Entry DOI: 10.7270/Q29889PW
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50239860 (CHEMBL4081343) Show SMILES FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NCC1(CCOCC1)c1cnc(s1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)23-31-20(32-35-23)16-6-8-17(9-7-16)21(33)30-15-24(10-12-34-13-11-24)19-14-29-22(36-19)18-4-2-1-3-5-18/h1-9,14H,10-13,15H2,(H,30,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	447	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal GST-tagged/C-terminal His-tagged HDAC4 expressed in insect cells using Boc-K(Ac)-AMC as substrate by fluor...				J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50509446 (CHEMBL4541820) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1cc(F)ccc1N Show InChI InChI=1S/C32H31FN4O3/c1-21-14-22(2)16-26(15-21)32(40)37(20-30(38)35-18-23-6-4-3-5-7-23)19-24-8-10-25(11-9-24)31(39)36-29-17-27(33)12-13-28(29)34/h3-17H,18-20,34H2,1-2H3,(H,35,38)(H,36,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50509442 (CHEMBL4564332) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)Nc1cc(ccc1N)-c1ccccc1)CC(=O)NCc1ccccc1 Show InChI InChI=1S/C36H40N4O3/c1-26-20-27(2)22-31(21-26)36(43)40(25-35(42)38-24-28-12-6-3-7-13-28)19-11-5-10-16-34(41)39-33-23-30(17-18-32(33)37)29-14-8-4-9-15-29/h3-4,6-9,12-15,17-18,20-23H,5,10-11,16,19,24-25,37H2,1-2H3,(H,38,42)(H,39,41)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50509449 (CHEMBL4450805) Show SMILES Cc1ccc(CNC(=O)CN(CCCCCC(=O)Nc2ccccc2N)C(=O)c2cc(C)cc(C)c2)cc1 Show InChI InChI=1S/C31H38N4O3/c1-22-12-14-25(15-13-22)20-33-30(37)21-35(31(38)26-18-23(2)17-24(3)19-26)16-8-4-5-11-29(36)34-28-10-7-6-9-27(28)32/h6-7,9-10,12-15,17-19H,4-5,8,11,16,20-21,32H2,1-3H3,(H,33,37)(H,34,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	478	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50509450 (CHEMBL4474656) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CC(=O)NCc1ccccc1)Cc1ccc(cc1)C(=O)Nc1ccccc1N Show InChI InChI=1S/C32H33N5O3/c1-36(2)27-18-16-26(17-19-27)32(40)37(22-30(38)34-20-23-8-4-3-5-9-23)21-24-12-14-25(15-13-24)31(39)35-29-11-7-6-10-28(29)33/h3-19H,20-22,33H2,1-2H3,(H,34,38)(H,35,39)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	480	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and measure...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM50509453 (CHEMBL4456250) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)Nc1ccccc1N)CC(=O)NC1CCCCC1 Show InChI InChI=1S/C29H40N4O3/c1-21-17-22(2)19-23(18-21)29(36)33(20-28(35)31-24-11-5-3-6-12-24)16-10-4-7-15-27(34)32-26-14-9-8-13-25(26)30/h8-9,13-14,17-19,24H,3-7,10-12,15-16,20,30H2,1-2H3,(H,31,35)(H,32,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	481	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of human recombinant full length C-terminal His-tagged HDAC3 (1 to 428 residues)/N-terminal GST-tagged NCOR2 (395 to 489 residues) express...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50509451 (CHEMBL4444763) Show SMILES Cc1cc(C)cc(CNC(=O)CN(CCCCCC(=O)Nc2ccccc2N)C(=O)c2cc(C)cc(C)c2)c1 Show InChI InChI=1S/C32H40N4O3/c1-22-14-23(2)17-26(16-22)20-34-31(38)21-36(32(39)27-18-24(3)15-25(4)19-27)13-9-5-6-12-30(37)35-29-11-8-7-10-28(29)33/h7-8,10-11,14-19H,5-6,9,12-13,20-21,33H2,1-4H3,(H,34,38)(H,35,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	484	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of recombinant human full length C-terminal His/FLAG-tagged HDAC1 expressed in baculovirus infected Sf9 insect cells using ZMAL as substra...				J Med Chem 62: 11260-11279 (2019) Article DOI: 10.1021/acs.jmedchem.9b01489 BindingDB Entry DOI: 10.7270/Q2JW8J5F
					More data for this Ligand-Target Pair

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