BDBM50278221 CHEMBL471043::methyl 4-((4-(3-(hydroxyamino)-3-oxoprop-1-enyl)benzylideneaminooxy)methyl)benzoate

SMILES: COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1

InChI Key: InChIKey=IHHUORPGTIDVFD-JOESBUEISA-N

Data: 11 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 11 hits for monomerid = 50278221   

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 5 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.67E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC5				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC1				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	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	1.58E+4	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC2				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	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	659	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC3				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC4				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.08E+4	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC11				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	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	3.63E+4	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC7				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	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	603	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC8				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC9				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Histone deacetylase 10 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.43E+3	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC10				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair
Cereblon/Histone deacetylase 6 (Homo sapiens (Human))	BDBM50278221 (CHEMBL471043 | methyl 4-((4-(3-(hydroxyamino)-3-ox...) Show SMILES COC(=O)c1ccc(CO\N=C\c2ccc(\C=C\C(=O)NO)cc2)cc1 Show InChI InChI=1S/C19H18N2O5/c1-25-19(23)17-9-6-16(7-10-17)13-26-20-12-15-4-2-14(3-5-15)8-11-18(22)21-24/h2-12,24H,13H2,1H3,(H,21,22)/b11-8+,20-12+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
R&D Sigma-Tau SpA Curated by ChEMBL					Assay Description Inhibition of human HDAC6				Bioorg Med Chem Lett 19: 2346-9 (2009) Article DOI: 10.1016/j.bmcl.2009.02.029 BindingDB Entry DOI: 10.7270/Q2154GX2
					More data for this Ligand-Target Pair