Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'di bello' and Initial = 'e'   

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 6 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(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	5	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50540804 (CHEMBL4639495) Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					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	30	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(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	110	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 8 (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 MMDB PDB Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	260	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM19149 (CHEMBL98 | N-hydroxy-N'-phenyloctanediamide | SAHA...) Show SMILES ONC(=O)CCCCCCC(=O)Nc1ccccc1 Show InChI InChI=1S/C14H20N2O3/c17-13(15-12-8-4-3-5-9-12)10-6-1-2-7-11-14(18)16-19/h3-5,8-9,19H,1-2,6-7,10-11H2,(H,15,17)(H,16,18)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 5 (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)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC5 using AMC-K(TFA)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(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	430	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	450	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 4 (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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4 using AMC-K(TFA)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50540804 (CHEMBL4639495) Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35)	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	830	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
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	920	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(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	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50540804 (CHEMBL4639495) Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.48E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50540804 (CHEMBL4639495) Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35)	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	2.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50540804 (CHEMBL4639495) Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35)	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	2.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2 using AMC-K(Ac)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50540805 (CHEMBL4641719) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1ccccc1 Show InChI InChI=1S/C21H23N3O2/c1-13-10-14(2)23-21(26)19(13)12-22-20(25)18-11-15(3)24(16(18)4)17-8-6-5-7-9-17/h5-11H,12H2,1-4H3,(H,22,25)(H,23,26)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.78E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM259332 (US9505745, 9 | US9790212, Example 9) Show SMILES Cc1c(cnn1-c1ccccc1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C19H20N4O2/c1-12-9-13(2)22-19(25)16(12)10-20-18(24)17-11-21-23(14(17)3)15-7-5-4-6-8-15/h4-9,11H,10H2,1-3H3,(H,20,24)(H,22,25)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.66E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC5 using AMC-K(TFA)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone-lysine N-methyltransferase EZH2 (Homo sapiens (Human))	BDBM50540806 (CHEMBL4639520) Show SMILES N[C@@H](CCSP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12)C(O)=O |r| Show InChI InChI=1S/C14H21N6O8PS/c15-6(14(23)24)1-2-30-29(25,26)27-3-7-9(21)10(22)13(28-7)20-5-19-8-11(16)17-4-18-12(8)20/h4-7,9-10,13,21-22H,1-3,15H2,(H,23,24)(H,25,26)(H2,16,17,18)/t6-,7+,9+,10+,13+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.47E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human EZH2 using core histone as substrate incubated for 1 hr by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50540803 (CHEMBL4633299) Show SMILES Cc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c(C)n1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1 Show InChI InChI=1S/C29H37N5O5/c1-18-14-19(2)31-29(38)25(18)17-30-28(37)24-15-20(3)34(21(24)4)23-11-9-10-22(16-23)32-26(35)12-7-5-6-8-13-27(36)33-39/h9-11,14-16,39H,5-8,12-13,17H2,1-4H3,(H,30,37)(H,31,38)(H,32,35)(H,33,36)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.68E+4	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4 using AMC-K(TFA)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
Histone deacetylase 5 (Homo sapiens (Human))	BDBM50540804 (CHEMBL4639495) Show SMILES Cc1c(cnn1-c1cccc(NC(=O)CCCCCCC(=O)NO)c1)C(=O)NCc1c(C)cc(C)[nH]c1=O Show InChI InChI=1S/C27H34N6O5/c1-17-13-18(2)30-27(37)22(17)15-28-26(36)23-16-29-33(19(23)3)21-10-8-9-20(14-21)31-24(34)11-6-4-5-7-12-25(35)32-38/h8-10,13-14,16,38H,4-7,11-12,15H2,1-3H3,(H,28,36)(H,30,37)(H,31,34)(H,32,35)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.01E+5	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza University of Rome Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC5 using AMC-K(TFA)GL as substrate by fluorescence based assay				ACS Med Chem Lett 11: 977-983 (2020) Article DOI: 10.1021/acsmedchemlett.0c00014 BindingDB Entry DOI: 10.7270/Q2HM5D0B
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50591387 (CHEMBL5171546) Show SMILES CCOC(=O)C1=CN(C=C(C1c1ccsc1)C(=O)OCC)C(=O)c1ccccc1 |c:8,t:5| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01215 BindingDB Entry DOI: 10.7270/Q2S75MB0
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50591386 (CHEMBL5171187) Show SMILES CCOC(=O)C1=CN(C=C(C1c1ccccc1)C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1 |c:8,t:5| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01215 BindingDB Entry DOI: 10.7270/Q2S75MB0
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50591387 (CHEMBL5171546) Show SMILES CCOC(=O)C1=CN(C=C(C1c1ccsc1)C(=O)OCC)C(=O)c1ccccc1 |c:8,t:5| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	8.30E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01215 BindingDB Entry DOI: 10.7270/Q2S75MB0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50591386 (CHEMBL5171187) Show SMILES CCOC(=O)C1=CN(C=C(C1c1ccccc1)C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1 |c:8,t:5| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.38E+5	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01215 BindingDB Entry DOI: 10.7270/Q2S75MB0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50591387 (CHEMBL5171546) Show SMILES CCOC(=O)C1=CN(C=C(C1c1ccsc1)C(=O)OCC)C(=O)c1ccccc1 |c:8,t:5| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	3.20E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01215 BindingDB Entry DOI: 10.7270/Q2S75MB0
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50591386 (CHEMBL5171187) Show SMILES CCOC(=O)C1=CN(C=C(C1c1ccccc1)C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1 |c:8,t:5| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.00E+4	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01215 BindingDB Entry DOI: 10.7270/Q2S75MB0
					More data for this Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50591387 (CHEMBL5171546) Show SMILES CCOC(=O)C1=CN(C=C(C1c1ccsc1)C(=O)OCC)C(=O)c1ccccc1 |c:8,t:5| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01215 BindingDB Entry DOI: 10.7270/Q2S75MB0
					More data for this Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3, mitochondrial (Homo sapiens (Human))	BDBM50591386 (CHEMBL5171187) Show SMILES CCOC(=O)C1=CN(C=C(C1c1ccccc1)C(=O)OCC)C(=O)c1cc(OC)c(OC)c(OC)c1 |c:8,t:5| Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01215 BindingDB Entry DOI: 10.7270/Q2S75MB0
					More data for this Ligand-Target Pair