Compile Data Set for Download or QSAR

Found 9 hits Enz. Inhib. hit(s) with all data for entry = 50043419   

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))	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	106	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length FLAG-tagged recombinant HDAC3 (unknown origin) transfected in human HeLa cells assessed as deacetylation of [3H]-acetylated...				J Med Chem 56: 7201-11 (2013) Article DOI: 10.1021/jm400385r BindingDB Entry DOI: 10.7270/Q2862HX7
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (Homo sapiens (Human))	BDBM22449 (CHEMBL356769 | N-(4-{(2R,4R,6S)-4-{[(4,5-diphenyl-...) Show SMILES OCc1ccc(cc1)[C@@H]1C[C@H](CSc2nc(c(o2)-c2ccccc2)-c2ccccc2)O[C@@H](O1)c1ccc(NC(=O)CCCCCCC(=O)NO)cc1 |r| Show InChI InChI=1S/C41H43N3O7S/c45-26-28-17-19-29(20-18-28)35-25-34(27-52-41-43-38(30-11-5-3-6-12-30)39(51-41)31-13-7-4-8-14-31)49-40(50-35)32-21-23-33(24-22-32)42-36(46)15-9-1-2-10-16-37(47)44-48/h3-8,11-14,17-24,34-35,40,45,48H,1-2,9-10,15-16,25-27H2,(H,42,46)(H,44,47)/t34-,35+,40+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.27E+3	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc as substrate				J Med Chem 56: 7201-11 (2013) Article DOI: 10.1021/jm400385r BindingDB Entry DOI: 10.7270/Q2862HX7
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50440912 (CHEMBL2431862) Show SMILES Cn1cccc1C(=O)NCc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C14H15N3O3/c1-17-8-2-3-12(17)14(19)15-9-10-4-6-11(7-5-10)13(18)16-20/h2-8,20H,9H2,1H3,(H,15,19)(H,16,18)	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	4.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...				J Med Chem 56: 7201-11 (2013) Article DOI: 10.1021/jm400385r BindingDB Entry DOI: 10.7270/Q2862HX7
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (HDAC3/NCoR2) (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of HDAC3/NcoR2 (unknown origin) using RHKKAc as substrate				J Med Chem 56: 7201-11 (2013) Article DOI: 10.1021/jm400385r BindingDB Entry DOI: 10.7270/Q2862HX7
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50440907 (CHEMBL2431901) Show SMILES Cn1cccc1C(=O)N1CCc2cc(ccc2C1)C(=O)NO Show InChI InChI=1S/C16H17N3O3/c1-18-7-2-3-14(18)16(21)19-8-6-11-9-12(15(20)17-22)4-5-13(11)10-19/h2-5,7,9,22H,6,8,10H2,1H3,(H,17,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...				J Med Chem 56: 7201-11 (2013) Article DOI: 10.1021/jm400385r BindingDB Entry DOI: 10.7270/Q2862HX7
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50440910 (CHEMBL2431906) Show SMILES Cn1cccc1C(=O)N1Cc2ccc(cc2C1)C(=O)NO Show InChI InChI=1S/C15H15N3O3/c1-17-6-2-3-13(17)15(20)18-8-11-5-4-10(14(19)16-21)7-12(11)9-18/h2-7,21H,8-9H2,1H3,(H,16,19)	PDB 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...				J Med Chem 56: 7201-11 (2013) Article DOI: 10.1021/jm400385r BindingDB Entry DOI: 10.7270/Q2862HX7
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50440909 (CHEMBL2431907) Show SMILES CC(C)(C)C(=O)N1Cc2ccc(cc2C1)C(=O)NO Show InChI InChI=1S/C14H18N2O3/c1-14(2,3)13(18)16-7-10-5-4-9(12(17)15-19)6-11(10)8-16/h4-6,19H,7-8H2,1-3H3,(H,15,17)	PDB 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...				J Med Chem 56: 7201-11 (2013) Article DOI: 10.1021/jm400385r BindingDB Entry DOI: 10.7270/Q2862HX7
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50440908 (CHEMBL2431912) Show SMILES Cn1cccc1C(=O)N1CCCc2cc(ccc2C1)C(=O)NO Show InChI InChI=1S/C17H19N3O3/c1-19-8-3-5-15(19)17(22)20-9-2-4-12-10-13(16(21)18-23)6-7-14(12)11-20/h3,5-8,10,23H,2,4,9,11H2,1H3,(H,18,21)	PDB 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...				J Med Chem 56: 7201-11 (2013) Article DOI: 10.1021/jm400385r BindingDB Entry DOI: 10.7270/Q2862HX7
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50440911 (CHEMBL2431902) Show SMILES CC(C)(C)C(=O)N1CCc2cc(ccc2C1)C(=O)NO Show InChI InChI=1S/C15H20N2O3/c1-15(2,3)14(19)17-7-6-10-8-11(13(18)16-20)4-5-12(10)9-17/h4-5,8,20H,6-7,9H2,1-3H3,(H,16,18)	PDB 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	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Millennium Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibition of full length C-terminal His6x-tagged recombinant human HDAC3 expressed in baculovirus using Arg-His-Lys-Lys (Ac) as substrate after 1 hr...				J Med Chem 56: 7201-11 (2013) Article DOI: 10.1021/jm400385r BindingDB Entry DOI: 10.7270/Q2862HX7
					More data for this Ligand-Target Pair