Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50009132   

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))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal GST-tagged recombinant human HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					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	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50525661 (CHEMBL4459795) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C20H17N3O4/c24-19(22-26)12-9-14-5-7-15(8-6-14)13-27-23-20(25)18-11-10-16-3-1-2-4-17(16)21-18/h1-12,26H,13H2,(H,22,24)(H,23,25)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal GST-tagged recombinant human HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50525661 (CHEMBL4459795) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C20H17N3O4/c24-19(22-26)12-9-14-5-7-15(8-6-14)13-27-23-20(25)18-11-10-16-3-1-2-4-17(16)21-18/h1-12,26H,13H2,(H,22,24)(H,23,25)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					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	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal GST-tagged recombinant human HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50525673 (CHEMBL4535463) Show SMILES COc1ccc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C18H19N3O5/c1-25-16-9-7-15(8-10-16)19-18(23)21-26-12-14-4-2-13(3-5-14)6-11-17(22)20-24/h2-11,24H,12H2,1H3,(H,20,22)(H2,19,21,23)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged recombinant human HDAC6 (1 to 1215 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50525673 (CHEMBL4535463) Show SMILES COc1ccc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C18H19N3O5/c1-25-16-9-7-15(8-10-16)19-18(23)21-26-12-14-4-2-13(3-5-14)6-11-17(22)20-24/h2-11,24H,12H2,1H3,(H,20,22)(H2,19,21,23)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal GST-tagged recombinant human HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cel...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-fusion tagged/N-terminal Strep-2 tagged recombinant human HDAC8 (1 to 377 residues) expressed in insect cells using Boc-...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal GST-tagged recombinant human HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50446481 (CHEMBL3110004 | US10011611, TMP269 | US10722597, C...) Show SMILES FC(F)(F)c1nc(no1)-c1cccc(c1)C(=O)NCC1(CCOCC1)c1nc(cs1)-c1ccccc1 Show InChI InChI=1S/C25H21F3N4O3S/c26-25(27,28)22-31-20(32-35-22)17-7-4-8-18(13-17)21(33)29-15-24(9-11-34-12-10-24)23-30-19(14-36-23)16-5-2-1-3-6-16/h1-8,13-14H,9-12,15H2,(H,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cel...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50525673 (CHEMBL4535463) Show SMILES COc1ccc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C18H19N3O5/c1-25-16-9-7-15(8-10-16)19-18(23)21-26-12-14-4-2-13(3-5-14)6-11-17(22)20-24/h2-11,24H,12H2,1H3,(H,20,22)(H2,19,21,23)/b11-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.21E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-fusion tagged/N-terminal Strep-2 tagged recombinant human HDAC8 (1 to 377 residues) expressed in insect cells using Boc-...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50525661 (CHEMBL4459795) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C20H17N3O4/c24-19(22-26)12-9-14-5-7-15(8-6-14)13-27-23-20(25)18-11-10-16-3-1-2-4-17(16)21-18/h1-12,26H,13H2,(H,22,24)(H,23,25)/b12-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-fusion tagged/N-terminal Strep-2 tagged recombinant human HDAC8 (1 to 377 residues) expressed in insect cells using Boc-...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.38E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cel...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	5.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal GST-tagged recombinant human HDAC2 (1 to 488 residues) expressed in Baculovirus infected insect cells using Boc-Lys(Ac)-AMC ...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	7.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cel...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50525661 (CHEMBL4459795) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C20H17N3O4/c24-19(22-26)12-9-14-5-7-15(8-6-14)13-27-23-20(25)18-11-10-16-3-1-2-4-17(16)21-18/h1-12,26H,13H2,(H,22,24)(H,23,25)/b12-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.54E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cel...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US10227295, Compoun...) Show SMILES CN1CCc2c(C1)c1ccccc1n2Cc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C20H21N3O2/c1-22-11-10-19-17(13-22)16-4-2-3-5-18(16)23(19)12-14-6-8-15(9-7-14)20(24)21-25/h2-9,25H,10-13H2,1H3,(H,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.23E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-fusion tagged/N-terminal Strep-2 tagged recombinant human HDAC8 (1 to 377 residues) expressed in insect cells using Boc-...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50398716 (CHEMBL2179618 | US10227295, Compound 5g | US940985...) Show SMILES CCCCN(Cc1ccc(cc1)C(=O)NO)C(=O)Nc1ccccc1 Show InChI InChI=1S/C19H23N3O3/c1-2-3-13-22(19(24)20-17-7-5-4-6-8-17)14-15-9-11-16(12-10-15)18(23)21-25/h4-12,25H,2-3,13-14H2,1H3,(H,20,24)(H,21,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	1.28E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-fusion tagged/N-terminal Strep-2 tagged recombinant human HDAC8 (1 to 377 residues) expressed in insect cells using Boc-...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					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	1.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-fusion tagged/N-terminal Strep-2 tagged recombinant human HDAC8 (1 to 377 residues) expressed in insect cells using Boc-...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50525673 (CHEMBL4535463) Show SMILES COc1ccc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C18H19N3O5/c1-25-16-9-7-15(8-10-16)19-18(23)21-26-12-14-4-2-13(3-5-14)6-11-17(22)20-24/h2-11,24H,12H2,1H3,(H,20,22)(H2,19,21,23)/b11-6+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.52E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cel...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					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	3.01E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged/N-terminal GST-tagged recombinant human HDAC4 (627 to 1084 residues) expressed in Baculovirus infected insect cel...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	6.20	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM29589 (Faridak | LBH-589 | LBH-589B | Panobinostat | US10...) Show SMILES Cc1[nH]c2ccccc2c1CCNCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H23N3O2/c1-15-18(19-4-2-3-5-20(19)23-15)12-13-22-14-17-8-6-16(7-9-17)10-11-21(25)24-26/h2-11,22-23,26H,12-14H2,1H3,(H,24,25)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	7.70	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525661 (CHEMBL4459795) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C20H17N3O4/c24-19(22-26)12-9-14-5-7-15(8-6-14)13-27-23-20(25)18-11-10-16-3-1-2-4-17(16)21-18/h1-12,26H,13H2,(H,22,24)(H,23,25)/b12-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	270	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525673 (CHEMBL4535463) Show SMILES COc1ccc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C18H19N3O5/c1-25-16-9-7-15(8-10-16)19-18(23)21-26-12-14-4-2-13(3-5-14)6-11-17(22)20-24/h2-11,24H,12H2,1H3,(H,20,22)(H2,19,21,23)/b11-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525673 (CHEMBL4535463) Show SMILES COc1ccc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C18H19N3O5/c1-25-16-9-7-15(8-10-16)19-18(23)21-26-12-14-4-2-13(3-5-14)6-11-17(22)20-24/h2-11,24H,12H2,1H3,(H,20,22)(H2,19,21,23)/b11-6+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase (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 KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	730	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase (Homo sapiens (Human))	BDBM50525670 (CHEMBL4434784) Show SMILES Cc1cc(C)cc(c1)C(=O)NOCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C19H20N2O4/c1-13-9-14(2)11-17(10-13)19(23)21-25-12-16-5-3-15(4-6-16)7-8-18(22)20-24/h3-11,24H,12H2,1-2H3,(H,20,22)(H,21,23)/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525660 (CHEMBL4462881) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-16(18-22)11-10-13-6-8-14(9-7-13)12-23-19-17(21)15-4-2-1-3-5-15/h1-11,22H,12H2,(H,18,20)(H,19,21)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	940	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525670 (CHEMBL4434784) Show SMILES Cc1cc(C)cc(c1)C(=O)NOCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C19H20N2O4/c1-13-9-14(2)11-17(10-13)19(23)21-25-12-16-5-3-15(4-6-16)7-8-18(22)20-24/h3-11,24H,12H2,1-2H3,(H,20,22)(H,21,23)/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.09E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525665 (CHEMBL4538830) Show SMILES Cc1[nH]c2ccccc2c1CC(=O)NOCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H21N3O4/c1-14-18(17-4-2-3-5-19(17)22-14)12-21(26)24-28-13-16-8-6-15(7-9-16)10-11-20(25)23-27/h2-11,22,27H,12-13H2,1H3,(H,23,25)(H,24,26)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525675 (CHEMBL4526883) Show SMILES Cc1cc(C)cc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C19H21N3O4/c1-13-9-14(2)11-17(10-13)20-19(24)22-26-12-16-5-3-15(4-6-16)7-8-18(23)21-25/h3-11,25H,12H2,1-2H3,(H,21,23)(H2,20,22,24)/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525660 (CHEMBL4462881) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccccc2)cc1 Show InChI InChI=1S/C17H16N2O4/c20-16(18-22)11-10-13-6-8-14(9-7-13)12-23-19-17(21)15-4-2-1-3-5-15/h1-11,22H,12H2,(H,18,20)(H,19,21)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525661 (CHEMBL4459795) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3n2)cc1 Show InChI InChI=1S/C20H17N3O4/c24-19(22-26)12-9-14-5-7-15(8-6-14)13-27-23-20(25)18-11-10-16-3-1-2-4-17(16)21-18/h1-12,26H,13H2,(H,22,24)(H,23,25)/b12-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525675 (CHEMBL4526883) Show SMILES Cc1cc(C)cc(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)c1 Show InChI InChI=1S/C19H21N3O4/c1-13-9-14(2)11-17(10-13)20-19(24)22-26-12-16-5-3-15(4-6-16)7-8-18(23)21-25/h3-11,25H,12H2,1-2H3,(H,21,23)(H2,20,22,24)/b8-7+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.54E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525659 (CHEMBL4438702) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C21H18N2O4/c24-20(22-26)12-9-15-5-7-16(8-6-15)14-27-23-21(25)19-11-10-17-3-1-2-4-18(17)13-19/h1-13,26H,14H2,(H,22,24)(H,23,25)/b12-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.92E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525666 (CHEMBL4526080) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2nccc3ccccc23)cc1 Show InChI InChI=1S/C20H17N3O4/c24-18(22-26)10-9-14-5-7-15(8-6-14)13-27-23-20(25)19-17-4-2-1-3-16(17)11-12-21-19/h1-12,26H,13H2,(H,22,24)(H,23,25)/b10-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525668 (CHEMBL4443997) Show SMILES Cc1cc(C)c(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)c(C)c1 Show InChI InChI=1S/C20H23N3O4/c1-13-10-14(2)19(15(3)11-13)21-20(25)23-27-12-17-6-4-16(5-7-17)8-9-18(24)22-26/h4-11,26H,12H2,1-3H3,(H,22,24)(H2,21,23,25)/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525665 (CHEMBL4538830) Show SMILES Cc1[nH]c2ccccc2c1CC(=O)NOCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H21N3O4/c1-14-18(17-4-2-3-5-19(17)22-14)12-21(26)24-28-13-16-8-6-15(7-9-16)10-11-20(25)23-27/h2-11,22,27H,12-13H2,1H3,(H,23,25)(H,24,26)/b11-10+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525659 (CHEMBL4438702) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)c2ccc3ccccc3c2)cc1 Show InChI InChI=1S/C21H18N2O4/c24-20(22-26)12-9-15-5-7-16(8-6-15)14-27-23-21(25)19-11-10-17-3-1-2-4-18(17)13-19/h1-13,26H,14H2,(H,22,24)(H,23,25)/b12-9+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.83E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525662 (CHEMBL4521485) Show SMILES CCCCOc1ccc(cc1)C(=O)NOCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C21H24N2O5/c1-2-3-14-27-19-11-9-18(10-12-19)21(25)23-28-15-17-6-4-16(5-7-17)8-13-20(24)22-26/h4-13,26H,2-3,14-15H2,1H3,(H,22,24)(H,23,25)/b13-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525663 (CHEMBL4570738) Show SMILES COc1cc(cc(OC)c1OC)C(=O)NOCc1ccc(\C=C\C(=O)NO)cc1 Show InChI InChI=1S/C20H22N2O7/c1-26-16-10-15(11-17(27-2)19(16)28-3)20(24)22-29-12-14-6-4-13(5-7-14)8-9-18(23)21-25/h4-11,25H,12H2,1-3H3,(H,21,23)(H,22,24)/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525664 (CHEMBL4566807) Show SMILES CC(C(=O)NOCc1ccc(\C=C\C(=O)NO)cc1)(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C25H24N2O4/c1-25(21-8-4-2-5-9-21,22-10-6-3-7-11-22)24(29)27-31-18-20-14-12-19(13-15-20)16-17-23(28)26-30/h2-17,30H,18H2,1H3,(H,26,28)(H,27,29)/b17-16+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.34E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525669 (CHEMBL4549636) Show SMILES ONC(=O)\C=C\c1ccc(CONC(=O)Nc2ccccc2-c2ccccc2)cc1 Show InChI InChI=1S/C23H21N3O4/c27-22(25-29)15-14-17-10-12-18(13-11-17)16-30-26-23(28)24-21-9-5-4-8-20(21)19-6-2-1-3-7-19/h1-15,29H,16H2,(H,25,27)(H2,24,26,28)/b15-14+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human A2780 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50525668 (CHEMBL4443997) Show SMILES Cc1cc(C)c(NC(=O)NOCc2ccc(\C=C\C(=O)NO)cc2)c(C)c1 Show InChI InChI=1S/C20H23N3O4/c1-13-10-14(2)19(15(3)11-13)21-20(25)23-27-12-17-6-4-16(5-7-17)8-9-18(24)22-26/h4-11,26H,12H2,1-3H3,(H,22,24)(H2,21,23,25)/b9-8+	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.21E+3	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-University D£sseldorf Curated by ChEMBL					Assay Description Inhibition of HDAC in human CAL27 cells using Boc-Lys(epsilon-Ac)-AMC as substrate preincubated for 18 hrs followed by substrate addition and further...				Bioorg Med Chem 27: (2019) Article DOI: 10.1016/j.bmc.2019.07.052 BindingDB Entry DOI: 10.7270/Q2VX0KZ8
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 63 total )  |  Next  |  Last  >>

Jump to: