Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 50038980   

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))	BDBM50302052 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H42N6O6/c1-17(2)13-20-15-26(37)31-18(3)27(38)33-23(11-5-4-6-12-25(36)35-41)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30,41H,4-6,11-15H2,1-3H3,(H,31,37)(H,32,40)(H,33,38)(H,34,39)(H,35,36)/t18-,20-,23-,24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302059 (6-((2S,5S,8S,11S)-2-(5-acetamidopentyl)-11-isobuty...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCCNC(C)=O)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C37H53N5O7/c1-24(2)21-28-23-33(44)40-30(17-7-5-11-20-38-25(3)43)35(47)41-31(18-6-4-8-19-34(45)46)36(48)42-32(37(49)39-28)22-27-15-12-14-26-13-9-10-16-29(26)27/h9-10,12-16,24,28,30-32H,4-8,11,17-23H2,1-3H3,(H,38,43)(H,39,49)(H,40,44)(H,41,47)(H,42,48)(H,45,46)/t28-,30-,31-,32-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302052 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H42N6O6/c1-17(2)13-20-15-26(37)31-18(3)27(38)33-23(11-5-4-6-12-25(36)35-41)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30,41H,4-6,11-15H2,1-3H3,(H,31,37)(H,32,40)(H,33,38)(H,34,39)(H,35,36)/t18-,20-,23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302053 ((3S,6R,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCSC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C30H43N5O5S/c1-5-22(36)9-8-12-41-17-26-30(40)34-25(14-20-16-31-24-11-7-6-10-23(20)24)29(39)33-21(13-18(2)3)15-27(37)32-19(4)28(38)35-26/h6-7,10-11,16,18-19,21,25-26,31H,5,8-9,12-15,17H2,1-4H3,(H,32,37)(H,33,39)(H,34,40)(H,35,38)/t19-,21-,25-,26-/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	20	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1	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	22	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM19130 ((2E,4E,6R)-7-[4-(dimethylamino)phenyl]-N-hydroxy-4...) Show SMILES CC(C=CC(=O)NO)C=C(C)C(=O)c1ccc(cc1)N(C)C |w:8.7,2.1| Show InChI InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-12,22H,1-4H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302077 ((3S,6S,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C31H45N5O5/c1-5-23(37)11-7-6-8-14-26-30(40)36-27(16-21-18-32-25-13-10-9-12-24(21)25)31(41)34-22(15-19(2)3)17-28(38)33-20(4)29(39)35-26/h9-10,12-13,18-20,22,26-27,32H,5-8,11,14-17H2,1-4H3,(H,33,38)(H,34,41)(H,35,39)(H,36,40)/t20-,22-,26-,27-/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	26	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1	PDB 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	29	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50302052 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H42N6O6/c1-17(2)13-20-15-26(37)31-18(3)27(38)33-23(11-5-4-6-12-25(36)35-41)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30,41H,4-6,11-15H2,1-3H3,(H,31,37)(H,32,40)(H,33,38)(H,34,39)(H,35,36)/t18-,20-,23-,24-/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	31	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302073 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-2-benz...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C35H46N6O6/c1-22(2)17-25-20-32(43)38-29(18-23-11-5-3-6-12-23)35(46)39-28(15-7-4-8-16-31(42)41-47)33(44)40-30(34(45)37-25)19-24-21-36-27-14-10-9-13-26(24)27/h3,5-6,9-14,21-22,25,28-30,36,47H,4,7-8,15-20H2,1-2H3,(H,37,45)(H,38,43)(H,39,46)(H,40,44)(H,41,42)/t25-,28-,29-,30-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302059 (6-((2S,5S,8S,11S)-2-(5-acetamidopentyl)-11-isobuty...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCCNC(C)=O)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C37H53N5O7/c1-24(2)21-28-23-33(44)40-30(17-7-5-11-20-38-25(3)43)35(47)41-31(18-6-4-8-19-34(45)46)36(48)42-32(37(49)39-28)22-27-15-12-14-26-13-9-10-16-29(26)27/h9-10,12-16,24,28,30-32H,4-8,11,17-23H2,1-3H3,(H,38,43)(H,39,49)(H,40,44)(H,41,47)(H,42,48)(H,45,46)/t28-,30-,31-,32-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50302072 (2-((3S,6S,9S,13S)-9-(3-guanidinopropyl)-6-(6-(hydr...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C28H42N8O9/c29-28(30)31-12-4-6-19-25(42)34-20(5-2-1-3-7-22(38)36-45)26(43)35-21(15-24(40)41)27(44)32-17(14-23(39)33-19)13-16-8-10-18(37)11-9-16/h8-11,17,19-21,37,45H,1-7,12-15H2,(H,32,44)(H,33,39)(H,34,42)(H,35,43)(H,36,38)(H,40,41)(H4,29,30,31)/t17-,19-,20-,21-/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	39	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302064 (CHEMBL569946 | N-(5-((2S,5S,8S,11S)-8-((1H-indol-3...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-28(45)14-8-6-9-18-32-36(48)43-33(21-26-23-39-30-16-12-11-15-29(26)30)37(49)40-27(20-24(2)3)22-34(46)41-31(35(47)42-32)17-10-7-13-19-38-25(4)44/h11-12,15-16,23-24,27,31-33,39H,5-10,13-14,17-22H2,1-4H3,(H,38,44)(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,31-,32-,33-/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	42	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302064 (CHEMBL569946 | N-(5-((2S,5S,8S,11S)-8-((1H-indol-3...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-28(45)14-8-6-9-18-32-36(48)43-33(21-26-23-39-30-16-12-11-15-29(26)30)37(49)40-27(20-24(2)3)22-34(46)41-31(35(47)42-32)17-10-7-13-19-38-25(4)44/h11-12,15-16,23-24,27,31-33,39H,5-10,13-14,17-22H2,1-4H3,(H,38,44)(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,31-,32-,33-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	54	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302075 (6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-isobutyl...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C36H51N5O7/c1-23(2)20-27-22-32(43)39-29(17-9-10-19-37-24(3)42)34(46)40-30(16-5-4-6-18-33(44)45)35(47)41-31(36(48)38-27)21-26-14-11-13-25-12-7-8-15-28(25)26/h7-8,11-15,23,27,29-31H,4-6,9-10,16-22H2,1-3H3,(H,37,42)(H,38,48)(H,39,43)(H,40,46)(H,41,47)(H,44,45)/t27-,29-,30-,31-/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	56	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302053 ((3S,6R,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCSC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C30H43N5O5S/c1-5-22(36)9-8-12-41-17-26-30(40)34-25(14-20-16-31-24-11-7-6-10-23(20)24)29(39)33-21(13-18(2)3)15-27(37)32-19(4)28(38)35-26/h6-7,10-11,16,18-19,21,25-26,31H,5,8-9,12-15,17H2,1-4H3,(H,32,37)(H,33,39)(H,34,40)(H,35,38)/t19-,21-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302061 (6-((2S,5S,8S,11S)-2-benzyl-11-isobutyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C37H46N4O6/c1-24(2)20-28-23-33(42)39-31(21-25-12-5-3-6-13-25)37(47)40-30(18-7-4-8-19-34(43)44)35(45)41-32(36(46)38-28)22-27-16-11-15-26-14-9-10-17-29(26)27/h3,5-6,9-17,24,28,30-32H,4,7-8,18-23H2,1-2H3,(H,38,46)(H,39,42)(H,40,47)(H,41,45)(H,43,44)/t28-,30-,31-,32-/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	68	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50302073 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-2-benz...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C35H46N6O6/c1-22(2)17-25-20-32(43)38-29(18-23-11-5-3-6-12-23)35(46)39-28(15-7-4-8-16-31(42)41-47)33(44)40-30(34(45)37-25)19-24-21-36-27-14-10-9-13-26(24)27/h3,5-6,9-14,21-22,25,28-30,36,47H,4,7-8,15-20H2,1-2H3,(H,37,45)(H,38,43)(H,39,46)(H,40,44)(H,41,42)/t25-,28-,29-,30-/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	70	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/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	116	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302072 (2-((3S,6S,9S,13S)-9-(3-guanidinopropyl)-6-(6-(hydr...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C28H42N8O9/c29-28(30)31-12-4-6-19-25(42)34-20(5-2-1-3-7-22(38)36-45)26(43)35-21(15-24(40)41)27(44)32-17(14-23(39)33-19)13-16-8-10-18(37)11-9-16/h8-11,17,19-21,37,45H,1-7,12-15H2,(H,32,44)(H,33,39)(H,34,42)(H,35,43)(H,36,38)(H,40,41)(H4,29,30,31)/t17-,19-,20-,21-/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	120	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50302052 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(=O)NO)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H42N6O6/c1-17(2)13-20-15-26(37)31-18(3)27(38)33-23(11-5-4-6-12-25(36)35-41)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30,41H,4-6,11-15H2,1-3H3,(H,31,37)(H,32,40)(H,33,38)(H,34,39)(H,35,36)/t18-,20-,23-,24-/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	133	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302063 (6-((5S,8S,11S)-11-isobutyl-2,2-dimethyl-8-(naphtha...) Show SMILES CC(C)C[C@H]1CC(=O)NC(C)(C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C32H44N4O6/c1-20(2)17-23-19-27(37)36-32(3,4)31(42)35-25(15-6-5-7-16-28(38)39)29(40)34-26(30(41)33-23)18-22-13-10-12-21-11-8-9-14-24(21)22/h8-14,20,23,25-26H,5-7,15-19H2,1-4H3,(H,33,41)(H,34,40)(H,35,42)(H,36,37)(H,38,39)/t23-,25-,26-/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	136	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302077 ((3S,6S,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](C)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C31H45N5O5/c1-5-23(37)11-7-6-8-14-26-30(40)36-27(16-21-18-32-25-13-10-9-12-24(21)25)31(41)34-22(15-19(2)3)17-28(38)33-20(4)29(39)35-26/h9-10,12-13,18-20,22,26-27,32H,5-8,11,14-17H2,1-4H3,(H,33,38)(H,34,41)(H,35,39)(H,36,40)/t20-,22-,26-,27-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	143	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50302064 (CHEMBL569946 | N-(5-((2S,5S,8S,11S)-8-((1H-indol-3...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)[C@H](CCCCCNC(C)=O)NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O |r| Show InChI InChI=1S/C37H56N6O6/c1-5-28(45)14-8-6-9-18-32-36(48)43-33(21-26-23-39-30-16-12-11-15-29(26)30)37(49)40-27(20-24(2)3)22-34(46)41-31(35(47)42-32)17-10-7-13-19-38-25(4)44/h11-12,15-16,23-24,27,31-33,39H,5-10,13-14,17-22H2,1-4H3,(H,38,44)(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,31-,32-,33-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302065 ((3S,6S,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC1=O |r| Show InChI InChI=1S/C38H57N5O6/c1-5-28(44)15-9-7-11-19-32-36(47)42-33(20-12-8-10-16-29(45)6-2)37(48)43-34(22-26-24-39-31-18-14-13-17-30(26)31)38(49)40-27(21-25(3)4)23-35(46)41-32/h13-14,17-18,24-25,27,32-34,39H,5-12,15-16,19-23H2,1-4H3,(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,32-,33-,34-/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	150	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302072 (2-((3S,6S,9S,13S)-9-(3-guanidinopropyl)-6-(6-(hydr...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C28H42N8O9/c29-28(30)31-12-4-6-19-25(42)34-20(5-2-1-3-7-22(38)36-45)26(43)35-21(15-24(40)41)27(44)32-17(14-23(39)33-19)13-16-8-10-18(37)11-9-16/h8-11,17,19-21,37,45H,1-7,12-15H2,(H,32,44)(H,33,39)(H,34,42)(H,35,43)(H,36,38)(H,40,41)(H4,29,30,31)/t17-,19-,20-,21-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	164	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302066 (6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-isobuty...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2cccc3ccccc23)-[#6](=O)-[#7]-1 |r| Show InChI InChI=1S/C34H49N7O6/c1-21(2)18-24-20-29(42)39-26(15-9-17-37-34(35)36)31(45)40-27(14-4-3-5-16-30(43)44)32(46)41-28(33(47)38-24)19-23-12-8-11-22-10-6-7-13-25(22)23/h6-8,10-13,21,24,26-28H,3-5,9,14-20H2,1-2H3,(H,38,47)(H,39,42)(H,40,45)(H,41,46)(H,43,44)(H4,35,36,37)/t24-,26-,27-,28-/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	178	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302075 (6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-isobutyl...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C36H51N5O7/c1-23(2)20-27-22-32(43)39-29(17-9-10-19-37-24(3)42)34(46)40-30(16-5-4-6-18-33(44)45)35(47)41-31(36(48)38-27)21-26-14-11-13-25-12-7-8-15-28(25)26/h7-8,11-15,23,27,29-31H,4-6,9-10,16-22H2,1-3H3,(H,37,42)(H,38,48)(H,39,43)(H,40,46)(H,41,47)(H,44,45)/t27-,29-,30-,31-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	190	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/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	200	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50302072 (2-((3S,6S,9S,13S)-9-(3-guanidinopropyl)-6-(6-(hydr...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=O)-[#7]-[#8])-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C28H42N8O9/c29-28(30)31-12-4-6-19-25(42)34-20(5-2-1-3-7-22(38)36-45)26(43)35-21(15-24(40)41)27(44)32-17(14-23(39)33-19)13-16-8-10-18(37)11-9-16/h8-11,17,19-21,37,45H,1-7,12-15H2,(H,32,44)(H,33,39)(H,34,42)(H,35,43)(H,36,38)(H,40,41)(H4,29,30,31)/t17-,19-,20-,21-/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	240	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302074 (6-((2S,5S,8S,11S)-2-(4-aminobutyl)-11-isobutyl-8-(...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C34H49N5O6/c1-22(2)19-25-21-30(40)37-27(16-8-9-18-35)32(43)38-28(15-4-3-5-17-31(41)42)33(44)39-29(34(45)36-25)20-24-13-10-12-23-11-6-7-14-26(23)24/h6-7,10-14,22,25,27-29H,3-5,8-9,15-21,35H2,1-2H3,(H,36,45)(H,37,40)(H,38,43)(H,39,44)(H,41,42)/t25-,27-,28-,29-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302065 ((3S,6S,9S,13S)-3-((1H-indol-3-yl)methyl)-13-isobut...) Show SMILES CCC(=O)CCCCC[C@@H]1NC(=O)C[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC1=O |r| Show InChI InChI=1S/C38H57N5O6/c1-5-28(44)15-9-7-11-19-32-36(47)42-33(20-12-8-10-16-29(45)6-2)37(48)43-34(22-26-24-39-31-18-14-13-17-30(26)31)38(49)40-27(21-25(3)4)23-35(46)41-32/h13-14,17-18,24-25,27,32-34,39H,5-12,15-16,19-23H2,1-4H3,(H,40,49)(H,41,46)(H,42,47)(H,43,48)/t27-,32-,33-,34-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	260	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302066 (6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-isobuty...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2cccc3ccccc23)-[#6](=O)-[#7]-1 |r| Show InChI InChI=1S/C34H49N7O6/c1-21(2)18-24-20-29(42)39-26(15-9-17-37-34(35)36)31(45)40-27(14-4-3-5-16-30(43)44)32(46)41-28(33(47)38-24)19-23-12-8-11-22-10-6-7-13-25(22)23/h6-8,10-13,21,24,26-28H,3-5,9,14-20H2,1-2H3,(H,38,47)(H,39,42)(H,40,45)(H,41,46)(H,43,44)(H4,35,36,37)/t24-,26-,27-,28-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	262	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302069 (6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-(4-hydro...) Show SMILES CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCCC(O)=O)NC1=O |r| Show InChI InChI=1S/C39H49N5O8/c1-25(45)40-21-8-7-15-32-37(50)43-33(14-3-2-4-16-36(48)49)38(51)44-34(23-28-12-9-11-27-10-5-6-13-31(27)28)39(52)41-29(24-35(47)42-32)22-26-17-19-30(46)20-18-26/h5-6,9-13,17-20,29,32-34,46H,2-4,7-8,14-16,21-24H2,1H3,(H,40,45)(H,41,52)(H,42,47)(H,43,50)(H,44,51)(H,48,49)/t29-,32-,33-,34-/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	288	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302060 (6-((2S,5S,8S,11S)-11-((1H-indol-3-yl)methyl)-2-ben...) Show SMILES OC(=O)CCCCC[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)C[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O |r| Show InChI InChI=1S/C42H45N5O6/c48-38-25-31(23-30-26-43-34-19-10-9-18-33(30)34)44-41(52)37(24-29-16-11-15-28-14-7-8-17-32(28)29)47-40(51)35(20-5-2-6-21-39(49)50)46-42(53)36(45-38)22-27-12-3-1-4-13-27/h1,3-4,7-19,26,31,35-37,43H,2,5-6,20-25H2,(H,44,52)(H,45,48)(H,46,53)(H,47,51)(H,49,50)/t31-,35-,36-,37-/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	460	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50302061 (6-((2S,5S,8S,11S)-2-benzyl-11-isobutyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C37H46N4O6/c1-24(2)20-28-23-33(42)39-31(21-25-12-5-3-6-13-25)37(47)40-30(18-7-4-8-19-34(43)44)35(45)41-32(36(46)38-28)22-27-16-11-15-26-14-9-10-17-29(26)27/h3,5-6,9-17,24,28,30-32H,4,7-8,18-23H2,1-2H3,(H,38,46)(H,39,42)(H,40,47)(H,41,45)(H,43,44)/t28-,30-,31-,32-/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	530	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50302066 (6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-isobuty...) Show SMILES [#6]-[#6](-[#6])-[#6]-[#6@H]-1-[#6]-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-c2cccc3ccccc23)-[#6](=O)-[#7]-1 |r| Show InChI InChI=1S/C34H49N7O6/c1-21(2)18-24-20-29(42)39-26(15-9-17-37-34(35)36)31(45)40-27(14-4-3-5-16-30(43)44)32(46)41-28(33(47)38-24)19-23-12-8-11-22-10-6-7-13-25(22)23/h6-8,10-13,21,24,26-28H,3-5,9,14-20H2,1-2H3,(H,38,47)(H,39,42)(H,40,45)(H,41,46)(H,43,44)(H4,35,36,37)/t24-,26-,27-,28-/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	607	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302076 (6-((2S,5S,8S,11S)-8-((1H-indol-3-yl)methyl)-11-iso...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C29H41N5O6/c1-17(2)13-20-15-25(35)31-18(3)27(38)33-23(11-5-4-6-12-26(36)37)28(39)34-24(29(40)32-20)14-19-16-30-22-10-8-7-9-21(19)22/h7-10,16-18,20,23-24,30H,4-6,11-15H2,1-3H3,(H,31,35)(H,32,40)(H,33,38)(H,34,39)(H,36,37)/t18-,20-,23-,24-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	608	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302061 (6-((2S,5S,8S,11S)-2-benzyl-11-isobutyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C37H46N4O6/c1-24(2)20-28-23-33(42)39-31(21-25-12-5-3-6-13-25)37(47)40-30(18-7-4-8-19-34(43)44)35(45)41-32(36(46)38-28)22-27-16-11-15-26-14-9-10-17-29(26)27/h3,5-6,9-17,24,28,30-32H,4,7-8,18-23H2,1-2H3,(H,38,46)(H,39,42)(H,40,47)(H,41,45)(H,43,44)/t28-,30-,31-,32-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	690	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302068 (6-((2S,5S,8S,11S)-2-(3-guanidinopropyl)-11-(4-hydr...) Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6]-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6@H](-[#6]-c2cccc3ccccc23)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#8])=O)-[#7]-[#6]-1=O |r| Show InChI InChI=1S/C37H47N7O7/c38-37(39)40-19-7-13-29-34(49)43-30(12-2-1-3-14-33(47)48)35(50)44-31(21-25-10-6-9-24-8-4-5-11-28(24)25)36(51)41-26(22-32(46)42-29)20-23-15-17-27(45)18-16-23/h4-6,8-11,15-18,26,29-31,45H,1-3,7,12-14,19-22H2,(H,41,51)(H,42,46)(H,43,49)(H,44,50)(H,47,48)(H4,38,39,40)/t26-,29-,30-,31-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	694	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302062 (6-((5S,8S,11S)-11-((1H-indol-3-yl)methyl)-2,2-dime...) Show SMILES CC1(C)NC(=O)C[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCCC(O)=O)NC1=O |r| Show InChI InChI=1S/C37H43N5O6/c1-37(2)36(48)41-30(17-4-3-5-18-33(44)45)34(46)40-31(20-24-13-10-12-23-11-6-7-14-27(23)24)35(47)39-26(21-32(43)42-37)19-25-22-38-29-16-9-8-15-28(25)29/h6-16,22,26,30-31,38H,3-5,17-21H2,1-2H3,(H,39,47)(H,40,46)(H,41,48)(H,42,43)(H,44,45)/t26-,30-,31-/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	751	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50238632 ((6S,9S,12S,14aR)-6-((S)-sec-Butyl)-9-(1-methoxy-1H...) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC(=O)[C@H](CCCCCC(=O)CC)NC(=O)[C@H]2CCCCN2C1=O |r| Show InChI InChI=1S/C34H49N5O6/c1-5-22(3)30-34(44)38-19-13-12-18-29(38)33(43)35-26(16-9-7-8-14-24(40)6-2)31(41)36-27(32(42)37-30)20-23-21-39(45-4)28-17-11-10-15-25(23)28/h10-11,15,17,21-22,26-27,29-30H,5-9,12-14,16,18-20H2,1-4H3,(H,35,43)(H,36,41)(H,37,42)/t22-,26-,27-,29+,30-/m0/s1	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	760	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50302063 (6-((5S,8S,11S)-11-isobutyl-2,2-dimethyl-8-(naphtha...) Show SMILES CC(C)C[C@H]1CC(=O)NC(C)(C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C32H44N4O6/c1-20(2)17-23-19-27(37)36-32(3,4)31(42)35-25(15-6-5-7-16-28(38)39)29(40)34-26(30(41)33-23)18-22-13-10-12-21-11-8-9-14-24(21)22/h8-14,20,23,25-26H,5-7,15-19H2,1-4H3,(H,33,41)(H,34,40)(H,35,42)(H,36,37)(H,38,39)/t23-,25-,26-/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	870	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302063 (6-((5S,8S,11S)-11-isobutyl-2,2-dimethyl-8-(naphtha...) Show SMILES CC(C)C[C@H]1CC(=O)NC(C)(C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C32H44N4O6/c1-20(2)17-23-19-27(37)36-32(3,4)31(42)35-25(15-6-5-7-16-28(38)39)29(40)34-26(30(41)33-23)18-22-13-10-12-21-11-8-9-14-24(21)22/h8-14,20,23,25-26H,5-7,15-19H2,1-4H3,(H,33,41)(H,34,40)(H,35,42)(H,36,37)(H,38,39)/t23-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	970	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50302058 (6-((2S,5S,8S,11S)-11-isobutyl-2-methyl-8-(naphthal...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C31H42N4O6/c1-19(2)16-23-18-27(36)32-20(3)29(39)34-25(14-5-4-6-15-28(37)38)30(40)35-26(31(41)33-23)17-22-12-9-11-21-10-7-8-13-24(21)22/h7-13,19-20,23,25-26H,4-6,14-18H2,1-3H3,(H,32,36)(H,33,41)(H,34,39)(H,35,40)(H,37,38)/t20-,23-,25-,26-/m0/s1	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	990	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50302070 (6-((2S,5S,8S,11S)-11-(4-hydroxybenzyl)-8-(naphthal...) Show SMILES OC(=O)CCCCC[C@@H]1NC(=O)[C@H](Cc2c(F)c(F)c(F)c(F)c2F)NC(=O)C[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2cccc3ccccc23)NC1=O |r| Show InChI InChI=1S/C40H39F5N4O7/c41-33-27(34(42)36(44)37(45)35(33)43)20-30-40(56)48-28(11-2-1-3-12-32(52)53)38(54)49-29(18-23-9-6-8-22-7-4-5-10-26(22)23)39(55)46-24(19-31(51)47-30)17-21-13-15-25(50)16-14-21/h4-10,13-16,24,28-30,50H,1-3,11-12,17-20H2,(H,46,55)(H,47,51)(H,48,56)(H,49,54)(H,52,53)/t24-,28-,29-,30-/m0/s1	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	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50302075 (6-((2S,5S,8S,11S)-2-(4-acetamidobutyl)-11-isobutyl...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCNC(C)=O)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C36H51N5O7/c1-23(2)20-27-22-32(43)39-29(17-9-10-19-37-24(3)42)34(46)40-30(16-5-4-6-18-33(44)45)35(47)41-31(36(48)38-27)21-26-14-11-13-25-12-7-8-15-28(25)26/h7-8,11-15,23,27,29-31H,4-6,9-10,16-22H2,1-3H3,(H,37,42)(H,38,48)(H,39,43)(H,40,46)(H,41,47)(H,44,45)/t27-,29-,30-,31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
					More data for this Ligand-Target Pair

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