Compile Data Set for Download or QSAR

Found 25 hits Enz. Inhib. hit(s) with all data for entry = 50002924   

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 (Homo sapiens (Human))	BDBM50464793 (CHEMBL4278715) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C28H26N4O5/c1-35-22-12-18(13-23(36-2)27(22)37-3)25-26-20(19-6-4-5-7-21(19)30-26)14-24(31-25)29-15-16-8-10-17(11-9-16)28(33)32-34/h4-14,30,34H,15H2,1-3H3,(H,29,31)(H,32,33)	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	0.410	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50464790 (CHEMBL4288953) Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.75	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50464793 (CHEMBL4278715) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C28H26N4O5/c1-35-22-12-18(13-23(36-2)27(22)37-3)25-26-20(19-6-4-5-7-21(19)30-26)14-24(31-25)29-15-16-8-10-17(11-9-16)28(33)32-34/h4-14,30,34H,15H2,1-3H3,(H,29,31)(H,32,33)	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	0.930	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50464790 (CHEMBL4288953) Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50464792 (CHEMBL4285608) Show SMILES COc1cccc(c1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O3/c1-33-19-6-4-5-18(13-19)24-25-21(20-7-2-3-8-22(20)28-25)14-23(29-24)27-15-16-9-11-17(12-10-16)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	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	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50464792 (CHEMBL4285608) Show SMILES COc1cccc(c1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O3/c1-33-19-6-4-5-18(13-19)24-25-21(20-7-2-3-8-22(20)28-25)14-23(29-24)27-15-16-9-11-17(12-10-16)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464790 (CHEMBL4288953) Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464793 (CHEMBL4278715) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C28H26N4O5/c1-35-22-12-18(13-23(36-2)27(22)37-3)25-26-20(19-6-4-5-7-21(19)30-26)14-24(31-25)29-15-16-8-10-17(11-9-16)28(33)32-34/h4-14,30,34H,15H2,1-3H3,(H,29,31)(H,32,33)	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	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464792 (CHEMBL4285608) Show SMILES COc1cccc(c1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O3/c1-33-19-6-4-5-18(13-19)24-25-21(20-7-2-3-8-22(20)28-25)14-23(29-24)27-15-16-9-11-17(12-10-16)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	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	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464800 (CHEMBL4290063) Show SMILES COc1ccc(cc1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C27H24N4O4/c1-34-22-12-11-18(13-23(22)35-2)25-26-20(19-5-3-4-6-21(19)29-26)14-24(30-25)28-15-16-7-9-17(10-8-16)27(32)31-33/h3-14,29,33H,15H2,1-2H3,(H,28,30)(H,31,32)	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	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464795 (CHEMBL4278270) Show SMILES COc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O3/c1-33-19-12-10-17(11-13-19)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-16-6-8-18(9-7-16)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	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	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464794 (CHEMBL4282185) Show SMILES ONC(=O)c1ccc(CNc2cc3c4ccccc4[nH]c3c(n2)-c2cccc(c2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H19N5O4/c31-25(29-32)16-10-8-15(9-11-16)14-26-22-13-20-19-6-1-2-7-21(19)27-24(20)23(28-22)17-4-3-5-18(12-17)30(33)34/h1-13,27,32H,14H2,(H,26,28)(H,29,31)	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	41	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464796 (CHEMBL4277204) Show SMILES Cc1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C20H18N4O2/c1-12-19-16(15-4-2-3-5-17(15)23-19)10-18(22-12)21-11-13-6-8-14(9-7-13)20(25)24-26/h2-10,23,26H,11H2,1H3,(H,21,22)(H,24,25)	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	48	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					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	65	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC6 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464798 (CHEMBL4293448) Show SMILES ONC(=O)c1ccc(CNc2cc3c4ccccc4[nH]c3c(n2)-c2ccc(cc2)[N+]([O-])=O)cc1 Show InChI InChI=1S/C25H19N5O4/c31-25(29-32)17-7-5-15(6-8-17)14-26-22-13-20-19-3-1-2-4-21(19)27-24(20)23(28-22)16-9-11-18(12-10-16)30(33)34/h1-13,27,32H,14H2,(H,26,28)(H,29,31)	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	65	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464799 (CHEMBL4285164) Show SMILES ONC(=O)c1ccc(CNc2cc3c(cn2)[nH]c2ccccc32)cc1 Show InChI InChI=1S/C19H16N4O2/c24-19(23-25)13-7-5-12(6-8-13)10-20-18-9-15-14-3-1-2-4-16(14)22-17(15)11-21-18/h1-9,11,22,25H,10H2,(H,20,21)(H,23,24)	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	71	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					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	142	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					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	153	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464791 (CHEMBL4281736) Show SMILES CCc1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C21H20N4O2/c1-2-17-20-16(15-5-3-4-6-18(15)24-20)11-19(23-17)22-12-13-7-9-14(10-8-13)21(26)25-27/h3-11,24,27H,2,12H2,1H3,(H,22,23)(H,25,26)	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	177	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50464797 (CHEMBL4292354) Show SMILES ONC(=O)c1ccc(CNc2cc3c4ccccc4[nH]c3c(n2)-c2ccccc2)cc1 Show InChI InChI=1S/C25H20N4O2/c30-25(29-31)18-12-10-16(11-13-18)15-26-22-14-20-19-8-4-5-9-21(19)27-24(20)23(28-22)17-6-2-1-3-7-17/h1-14,27,31H,15H2,(H,26,28)(H,29,30)	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	219	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					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	425	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50464793 (CHEMBL4278715) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C28H26N4O5/c1-35-22-12-18(13-23(36-2)27(22)37-3)25-26-20(19-6-4-5-7-21(19)30-26)14-24(31-25)29-15-16-8-10-17(11-9-16)28(33)32-34/h4-14,30,34H,15H2,1-3H3,(H,29,31)(H,32,33)	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	875	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50464792 (CHEMBL4285608) Show SMILES COc1cccc(c1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O3/c1-33-19-6-4-5-18(13-19)24-25-21(20-7-2-3-8-22(20)28-25)14-23(29-24)27-15-16-9-11-17(12-10-16)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM100152 (7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...) Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21 Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50464790 (CHEMBL4288953) Show SMILES Cc1ccc(cc1)-c1nc(NCc2ccc(cc2)C(=O)NO)cc2c3ccccc3[nH]c12 Show InChI InChI=1S/C26H22N4O2/c1-16-6-10-18(11-7-16)24-25-21(20-4-2-3-5-22(20)28-25)14-23(29-24)27-15-17-8-12-19(13-9-17)26(31)30-32/h2-14,28,32H,15H2,1H3,(H,27,29)(H,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MCE 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
Nantong University Curated by ChEMBL					Assay Description Inhibition of HDAC8 (unknown origin)				Eur J Med Chem 144: 398-409 (2018) Article DOI: 10.1016/j.ejmech.2017.12.061 BindingDB Entry DOI: 10.7270/Q20004R4
					More data for this Ligand-Target Pair