BDBM50268042 (2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5-phenyl-2,4-pentadienamide::CHEMBL490018

SMILES: C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO

InChI Key: InChIKey=FIMYEORZUZGRFU-TVYVBBRWSA-N

Data: 9 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 9 hits for monomerid = 50268042   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC2				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC3				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC4				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
London School of Hygiene and Tropical Medicine Curated by ChEMBL					Assay Description Inhibition of HDAC expressed in human HeLa cells after 1 hr by fluorescence analysis				Bioorg Med Chem Lett 22: 1886-90 (2012) Article DOI: 10.1016/j.bmcl.2012.01.072 BindingDB Entry DOI: 10.7270/Q2QF8WQT
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC7				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC8				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC9				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50268042 ((2E,4E)-N-[6-(Hydroxyamino)-6-oxohexyl]-3-methyl-5...) Show SMILES C\C(\C=C\c1ccccc1)=C/C(=O)NCCCCCC(=O)NO Show InChI InChI=1S/C18H24N2O3/c1-15(11-12-16-8-4-2-5-9-16)14-18(22)19-13-7-3-6-10-17(21)20-23/h2,4-5,8-9,11-12,14,23H,3,6-7,10,13H2,1H3,(H,19,22)(H,20,21)/b12-11+,15-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Organic Synthesis Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC6				Eur J Med Chem 44: 1067-85 (2009) Article DOI: 10.1016/j.ejmech.2008.06.020 BindingDB Entry DOI: 10.7270/Q2BG2NTX
					More data for this Ligand-Target Pair