Compile Data Set for Download or QSAR

Found 377 hits with Last Name = 'romier' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1/6 (Homo sapiens (Human))	BDBM50239858 (CHEMBL4067006) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 1/6 (Homo sapiens (Human))	BDBM50239857 (CHEMBL4070745) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Compound was tested for the binding affinity towards nicotinic acetylcholine receptor				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant HDAC8 (unknown origin) using acetyl-Gly-Ala-(N-acetyl-Lys)-amino-4-methylcoumarin as substrate preincubated for 15 mins fol...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 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 KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50380399 (CHEMBL2018302 | Tubastatin A | US8748451, 6 | US92...) 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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using RHKKAc peptide as substrate				J Med Chem 59: 1545-55 (2016) BindingDB Entry DOI: 10.7270/Q2X350BD
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164533 (CHEMBL3800182) Show SMILES COc1ccc(cc1S(=O)(=O)Nc1ccc(C)cc1)C(=O)NO Show InChI InChI=1S/C15H16N2O5S/c1-10-3-6-12(7-4-10)17-23(20,21)14-9-11(15(18)16-19)5-8-13(14)22-2/h3-9,17,19H,1-2H3,(H,16,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164532 (CHEMBL3797516) Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C15H15NO4/c1-19-13-8-7-12(15(17)16-18)9-14(13)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 1/6 (Homo sapiens (Human))	BDBM50239859 (CHEMBL4088276) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164518 (CHEMBL3800394) Show SMILES COc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246866 (CHEMBL4078458) Show SMILES Show InChI	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	27	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL									J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164532 (CHEMBL3797516) Show SMILES COc1ccc(cc1OCc1ccccc1)C(=O)NO Show InChI InChI=1S/C15H15NO4/c1-19-13-8-7-12(15(17)16-18)9-14(13)20-10-11-5-3-2-4-6-11/h2-9,18H,10H2,1H3,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL									J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164516 (CHEMBL3800057) Show SMILES CC(C)Oc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C17H18N2O4/c1-11(2)23-15-9-8-13(17(21)19-22)10-14(15)18-16(20)12-6-4-3-5-7-12/h3-11,22H,1-2H3,(H,18,20)(H,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164517 (CHEMBL3798183) Show SMILES Cc1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)NO Show InChI InChI=1S/C18H15N3O3/c1-11-6-7-13(17(22)21-24)10-16(11)20-18(23)15-9-8-12-4-2-3-5-14(12)19-15/h2-10,24H,1H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246847 (CHEMBL4089635) Show SMILES Show InChI	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	35	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL									J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246874 (CHEMBL4095643) Show SMILES Show InChI	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	38	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL									J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447
					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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239858 (CHEMBL4067006) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nc(OC)cc(C)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	43	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					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 MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					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 MMDB PC cid PC sid PDB UniChem Patents	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239857 (CHEMBL4070745) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2ncccc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 1/6 (Homo sapiens (Human))	BDBM50239856 (CHEMBL2311793) Show SMILES ONC(=O)CCCCCONC(=O)Nc1cnc2ccccc2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					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 UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Patents	PubMed	n/a	n/a	53	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis				J Med Chem 59: 1545-55 (2016) BindingDB Entry DOI: 10.7270/Q2X350BD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50148612 (CHEMBL3770095) Show SMILES ONC(=O)c1coc(n1)-c1ccc(Br)cc1 Show InChI InChI=1S/C10H7BrN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis				J Med Chem 59: 1545-55 (2016) BindingDB Entry DOI: 10.7270/Q2X350BD
					More data for this Ligand-Target Pair
Histone deacetylase 3/Nuclear receptor corepressor 2 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50239832 (CHEMBL4090647) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	61	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50239824 (CHEMBL4069631) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)NCc1ccccc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164641 (CHEMBL3797843) Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C14H11ClN2O3/c15-11-7-6-10(14(19)17-20)8-12(11)16-13(18)9-4-2-1-3-5-9/h1-8,20H,(H,16,18)(H,17,19)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents	PDB PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246846 (CHEMBL4105068) Show SMILES Show InChI	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	69	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL									J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164658 (CHEMBL3798268) Show SMILES CN(C)c1cccc(c1)C(=O)NO Show InChI InChI=1S/C9H12N2O2/c1-11(2)8-5-3-4-7(6-8)9(12)10-13/h3-6,13H,1-2H3,(H,10,12)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50246848 (CHEMBL4061831) Show SMILES Show InChI	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	72	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL									J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164518 (CHEMBL3800394) Show SMILES COc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C21H18N2O4/c1-27-19-12-11-17(21(25)23-26)13-18(19)22-20(24)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-13,26H,1H3,(H,22,24)(H,23,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PDB PubMed	n/a	n/a	75	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164519 (CHEMBL3799297) Show SMILES COc1ccc(cc1)C(=O)Nc1cc(ccc1OC)C(=O)NO Show InChI InChI=1S/C16H16N2O5/c1-22-12-6-3-10(4-7-12)15(19)17-13-9-11(16(20)18-21)5-8-14(13)23-2/h3-9,21H,1-2H3,(H,17,19)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239859 (CHEMBL4088276) Show SMILES COc1cc(NC(=O)NOCCCCCC(=O)NO)c2nccc(C)c2c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	77	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5334-5348 (2017) Article DOI: 10.1021/acs.jmedchem.6b01538 BindingDB Entry DOI: 10.7270/Q2R49SWD
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50148617 (CHEMBL3771189) Show SMILES ONC(=O)c1coc(n1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C10H7ClN2O3/c11-7-3-1-6(2-4-7)10-12-8(5-16-10)9(14)13-15/h1-5,15H,(H,13,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis				J Med Chem 59: 1545-55 (2016) BindingDB Entry DOI: 10.7270/Q2X350BD
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50239819 (CHEMBL4095934) Show SMILES Cc1cc(C)cc(c1)C(=O)N(CCCCCC(=O)NO)CC(=O)NC1CCCCC1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	84	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL					Assay Description Inhibition of eel acetylcholinesterase (AChE) activity by 50%				J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50164539 (CHEMBL3798870) Show SMILES COc1ccc(cc1NC(=O)c1ccccc1)C(=O)NO Show InChI InChI=1S/C15H14N2O4/c1-21-13-8-7-11(15(19)17-20)9-12(13)16-14(18)10-5-3-2-4-6-10/h2-9,20H,1H3,(H,16,18)(H,17,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem	PubMed	n/a	n/a	88	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC8 using Fluor de Lys as substrate preincubated for 90 mins followed by BML-KI176 addition measured after 45 mins ...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50148620 (CHEMBL3769820) Show SMILES ONC(=O)c1coc(n1)-c1ccc2ccccc2c1 Show InChI InChI=1S/C14H10N2O3/c17-13(16-18)12-8-19-14(15-12)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,18H,(H,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis				J Med Chem 59: 1545-55 (2016) BindingDB Entry DOI: 10.7270/Q2X350BD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50148613 (CHEMBL3771326) Show SMILES ONC(=O)c1coc(n1)-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C16H12N2O3/c19-15(18-20)14-10-21-16(17-14)13-8-6-12(7-9-13)11-4-2-1-3-5-11/h1-10,20H,(H,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	89	n/a	n/a	n/a	n/a	n/a	n/a
Albert-Ludwigs-University Freiburg Curated by ChEMBL					Assay Description Inhibition of human HDAC6 using (Z-(Ac)Lys-AMC) as substrate after 90 mins by fluorescence analysis				J Med Chem 59: 1545-55 (2016) BindingDB Entry DOI: 10.7270/Q2X350BD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50164517 (CHEMBL3798183) Show SMILES Cc1ccc(cc1NC(=O)c1ccc2ccccc2n1)C(=O)NO Show InChI InChI=1S/C18H15N3O3/c1-11-6-7-13(17(22)21-24)10-16(11)20-18(23)15-9-8-12-4-2-3-5-14(12)19-15/h2-10,24H,1H3,(H,20,23)(H,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50164529 (CHEMBL3800615) Show SMILES ONC(=O)c1ccc(Cl)c(NC(=O)c2ccc(Cl)cc2)c1 Show InChI InChI=1S/C14H10Cl2N2O3/c15-10-4-1-8(2-5-10)13(19)17-12-7-9(14(20)18-21)3-6-11(12)16/h1-7,21H,(H,17,19)(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant human HDAC6 using Cbz-(Ac)Lys-AMC as substrate preincubated for 90 mins followed by trypsin addition measured after 20 mins...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50397360 (CHEMBL2170177 | US10188756, Compound CN110) Show SMILES COc1ccc(Cn2ccc3ccc(cc23)C(=O)NO)cc1 Show InChI InChI=1S/C17H16N2O3/c1-22-15-6-2-12(3-7-15)11-19-9-8-13-4-5-14(10-16(13)19)17(20)18-21/h2-10,21H,11H2,1H3,(H,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL									J Med Chem 60: 10188-10204 (2017) Article DOI: 10.1021/acs.jmedchem.7b01447
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Schistosoma mansoni)	BDBM50164531 (CHEMBL3799246) Show SMILES CCOc1ccc(cc1NC(=O)c1ccc(cc1)-c1ccccc1)C(=O)NO Show InChI InChI=1S/C22H20N2O4/c1-2-28-20-13-12-18(22(26)24-27)14-19(20)23-21(25)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-14,27H,2H2,1H3,(H,23,25)(H,24,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Martin-Luther University of Halle-Wittenberg Curated by ChEMBL					Assay Description Inhibition of recombinant Schistosoma mansoni HDAC8 expressed in Escherichia coli using Fluor de Lys as substrate preincubated for 90 mins followed b...				J Med Chem 59: 2423-35 (2016) BindingDB Entry DOI: 10.7270/Q28054HC
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50239822 (CHEMBL4080343) Show SMILES CN(C)c1ccc(cc1)C(=O)N(CCCCCC(=O)NO)CC(=O)Nc1ccc(C)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	96	n/a	n/a	n/a	n/a	n/a	n/a
Heinrich-Heine-Universit£t D£sseldorf Curated by ChEMBL									J Med Chem 60: 5493-5506 (2017) Article DOI: 10.1021/acs.jmedchem.7b00197 BindingDB Entry DOI: 10.7270/Q20P125Z
					More data for this Ligand-Target Pair

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