Compile Data Set for Download or QSAR

Found 34 hits with Last Name = 'aleksandrova' and Initial = 'n'   

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 (Homo sapiens (Human))	BDBM50314133 (CHEMBL1093713 | N-(3,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cc(C)cc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-11(2)9-12(8-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB 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	17	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314134 (CHEMBL1093041 | N-(3-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-6-5-7-12(10-11)15-13(17)8-3-4-9-14(18)16-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(H,16,18)	PDB MMDB 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	27	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314133 (CHEMBL1093713 | N-(3,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cc(C)cc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-11(2)9-12(8-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(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	30	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314135 (CHEMBL1093359 | N-(3,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1C Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(9-11(10)2)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB 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	30	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314134 (CHEMBL1093041 | N-(3-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-6-5-7-12(10-11)15-13(17)8-3-4-9-14(18)16-19/h5-7,10,19H,2-4,8-9H2,1H3,(H,15,17)(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	35	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314135 (CHEMBL1093359 | N-(3,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1C Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(9-11(10)2)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(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	56	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314136 (CHEMBL1089339 | N-Hydroxy-N'-(3-methylphenyl)octan...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C13H18N2O3/c1-10-5-4-6-11(9-10)14-12(16)7-2-3-8-13(17)15-18/h4-6,9,18H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)	PDB MMDB 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	57	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314136 (CHEMBL1089339 | N-Hydroxy-N'-(3-methylphenyl)octan...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C13H18N2O3/c1-10-5-4-6-11(9-10)14-12(16)7-2-3-8-13(17)15-18/h4-6,9,18H,2-3,7-8H2,1H3,(H,14,16)(H,15,17)	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	58	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314137 (CHEMBL1091487 | N-Hydroxy-N'-(4-methoxyphenyl)octa...) Show SMILES COc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB MMDB 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	71	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314138 (CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	PDB MMDB 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	76	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314138 (CHEMBL1092762 | N-Hydroxy-N'-(4-methylphenyl)octan...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O3/c1-10-6-8-11(9-7-10)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	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	114	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					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	119	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314137 (CHEMBL1091487 | N-Hydroxy-N'-(4-methoxyphenyl)octa...) Show SMILES COc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C13H18N2O4/c1-19-11-8-6-10(7-9-11)14-12(16)4-2-3-5-13(17)15-18/h6-9,18H,2-5H2,1H3,(H,14,16)(H,15,17)	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	137	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
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	147	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314139 (CHEMBL1093042 | N-(4-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-9-12(10-8-11)15-13(17)5-3-4-6-14(18)16-19/h7-10,19H,2-6H2,1H3,(H,15,17)(H,16,18)	PDB MMDB 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	149	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314139 (CHEMBL1093042 | N-(4-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccc(NC(=O)CCCCC(=O)NO)cc1 Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-9-12(10-8-11)15-13(17)5-3-4-6-14(18)16-19/h7-10,19H,2-6H2,1H3,(H,15,17)(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	240	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314140 (CHEMBL1076794 | N-Hydroxy-N'-(2-methylphenyl)octan...) Show SMILES Cc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C13H18N2O3/c1-10-6-2-3-7-11(10)14-12(16)8-4-5-9-13(17)15-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,14,16)(H,15,17)	PDB MMDB 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	576	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50012278 ((2ALPHA,2''BETA,3BETA,4ALPHA,5BETA)-VINCALEUKOBLAS...) Show SMILES CC[C@]1(O)C[C@@H]2CN(C1)CCc1c([nH]c3ccccc13)[C@@](C2)(C(=O)OC)c1cc2c(cc1OC)N(C)[C@@H]1[C@]22CCN3CC=C[C@](CC)([C@@H]23)[C@@H](OC(C)=O)[C@]1(O)C(=O)OC |r,c:48| Show InChI InChI=1S/C46H58N4O9/c1-8-42(54)23-28-24-45(40(52)57-6,36-30(15-19-49(25-28)26-42)29-13-10-11-14-33(29)47-36)32-21-31-34(22-35(32)56-5)48(4)38-44(31)17-20-50-18-12-16-43(9-2,37(44)50)39(59-27(3)51)46(38,55)41(53)58-7/h10-14,16,21-22,28,37-39,47,54-55H,8-9,15,17-20,23-26H2,1-7H3/t28-,37-,38+,39+,42-,43+,44+,45-,46-/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
Special Design and Construction Bureau SDCB"Technolog" Curated by ChEMBL					Assay Description Inhibition of bovine tubulin polymerization by turbidity assay				Eur J Med Chem 94: 237-51 (2015) Article DOI: 10.1016/j.ejmech.2015.02.051 BindingDB Entry DOI: 10.7270/Q2FN17XK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314141 (CHEMBL1092032 | N-(2,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(11(2)9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB 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	638	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314141 (CHEMBL1092032 | N-(2,4-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(NC(=O)CCCCC(=O)NO)c(C)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-12(11(2)9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314142 (CHEMBL1093040 | N-(2-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-3-4-8-12(11)15-13(17)9-5-6-10-14(18)16-19/h3-4,7-8,19H,2,5-6,9-10H2,1H3,(H,15,17)(H,16,18)	PDB MMDB 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	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314143 (CHEMBL1093043 | N-(2,3-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1C Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-12(11(10)2)15-13(17)8-3-4-9-14(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB 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	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314144 (CHEMBL1093357 | N-(2,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(C)c(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-11(2)12(9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB 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	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314144 (CHEMBL1093357 | N-(2,5-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1ccc(C)c(NC(=O)CCCCC(=O)NO)c1 Show InChI InChI=1S/C14H20N2O3/c1-10-7-8-11(2)12(9-10)15-13(17)5-3-4-6-14(18)16-19/h7-9,19H,3-6H2,1-2H3,(H,15,17)(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	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314140 (CHEMBL1076794 | N-Hydroxy-N'-(2-methylphenyl)octan...) Show SMILES Cc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C13H18N2O3/c1-10-6-2-3-7-11(10)14-12(16)8-4-5-9-13(17)15-18/h2-3,6-7,18H,4-5,8-9H2,1H3,(H,14,16)(H,15,17)	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	1.35E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314143 (CHEMBL1093043 | N-(2,3-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(NC(=O)CCCCC(=O)NO)c1C Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-12(11(10)2)15-13(17)8-3-4-9-14(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(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	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50081640 (CHEMBL3422133) Show SMILES Nc1nonc1-c1nc2ccccc2n1Cc1cccc(Br)c1 Show InChI InChI=1S/C16H12BrN5O/c17-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Special Design and Construction Bureau SDCB"Technolog" Curated by ChEMBL					Assay Description Inhibition of bovine tubulin polymerization by turbidity assay				Eur J Med Chem 94: 237-51 (2015) Article DOI: 10.1016/j.ejmech.2015.02.051 BindingDB Entry DOI: 10.7270/Q2FN17XK
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314142 (CHEMBL1093040 | N-(2-Ethylphenyl)-N'-hydroxyoctane...) Show SMILES CCc1ccccc1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-2-11-7-3-4-8-12(11)15-13(17)9-5-6-10-14(18)16-19/h3-4,7-8,19H,2,5-6,9-10H2,1H3,(H,15,17)(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	2.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50314145 (CHEMBL1093358 | N-(2,6-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(C)c1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-11(2)14(10)15-12(17)8-3-4-9-13(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(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	4.99E+3	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC3 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50081638 (CHEMBL3422152) Show SMILES Nc1nonc1-c1nc2ccccc2n1Cc1cccc2ccccc12 Show InChI InChI=1S/C20H15N5O/c21-19-18(23-26-24-19)20-22-16-10-3-4-11-17(16)25(20)12-14-8-5-7-13-6-1-2-9-15(13)14/h1-11H,12H2,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.03E+3	n/a	n/a	n/a	n/a	n/a	n/a
Special Design and Construction Bureau SDCB"Technolog" Curated by ChEMBL					Assay Description Inhibition of bovine tubulin polymerization by turbidity assay				Eur J Med Chem 94: 237-51 (2015) Article DOI: 10.1016/j.ejmech.2015.02.051 BindingDB Entry DOI: 10.7270/Q2FN17XK
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50081637 (CHEMBL3422177) Show SMILES Nc1nonc1-c1nc2ccccc2n1CC(=O)Nc1ccccc1Cl Show InChI InChI=1S/C17H13ClN6O2/c18-10-5-1-2-6-11(10)20-14(25)9-24-13-8-4-3-7-12(13)21-17(24)15-16(19)23-26-22-15/h1-8H,9H2,(H2,19,23)(H,20,25)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Special Design and Construction Bureau SDCB"Technolog" Curated by ChEMBL					Assay Description Inhibition of bovine tubulin polymerization by turbidity assay				Eur J Med Chem 94: 237-51 (2015) Article DOI: 10.1016/j.ejmech.2015.02.051 BindingDB Entry DOI: 10.7270/Q2FN17XK
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50081641 (CHEMBL3422131) Show SMILES Nc1nonc1-c1nc2ccccc2n1Cc1cccc(F)c1 Show InChI InChI=1S/C16H12FN5O/c17-11-5-3-4-10(8-11)9-22-13-7-2-1-6-12(13)19-16(22)14-15(18)21-23-20-14/h1-8H,9H2,(H2,18,21)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Special Design and Construction Bureau SDCB"Technolog" Curated by ChEMBL					Assay Description Inhibition of bovine tubulin polymerization by turbidity assay				Eur J Med Chem 94: 237-51 (2015) Article DOI: 10.1016/j.ejmech.2015.02.051 BindingDB Entry DOI: 10.7270/Q2FN17XK
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50314145 (CHEMBL1093358 | N-(2,6-Dimethylphenyl)-N'-hydroxyo...) Show SMILES Cc1cccc(C)c1NC(=O)CCCCC(=O)NO Show InChI InChI=1S/C14H20N2O3/c1-10-6-5-7-11(2)14(10)15-12(17)8-3-4-9-13(18)16-19/h5-7,19H,3-4,8-9H2,1-2H3,(H,15,17)(H,16,18)	PDB MMDB 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	1.16E+4	n/a	n/a	n/a	n/a	n/a	n/a
UMR CNRS 6026-Universit£ Rennes 1 Curated by ChEMBL					Assay Description Ex vivo inhibition of human HDAC1 in human Caco2 cells by flurometric cellular activity assay				J Med Chem 53: 1937-50 (2010) Article DOI: 10.1021/jm901561u BindingDB Entry DOI: 10.7270/Q2QJ7HFB
					More data for this Ligand-Target Pair
Similar to alpha-tubulin isoform 1 (Bos taurus)	BDBM50081639 (CHEMBL3422134) Show SMILES Nc1nonc1-c1nc2ccccc2n1Cc1cccc(c1)C(F)(F)F Show InChI InChI=1S/C17H12F3N5O/c18-17(19,20)11-5-3-4-10(8-11)9-25-13-7-2-1-6-12(13)22-16(25)14-15(21)24-26-23-14/h1-8H,9H2,(H2,21,24)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+4	n/a	n/a	n/a	n/a	n/a	n/a
Special Design and Construction Bureau SDCB"Technolog" Curated by ChEMBL					Assay Description Inhibition of bovine tubulin polymerization by turbidity assay				Eur J Med Chem 94: 237-51 (2015) Article DOI: 10.1016/j.ejmech.2015.02.051 BindingDB Entry DOI: 10.7270/Q2FN17XK
					More data for this Ligand-Target Pair