null

SMILES: COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1

InChI Key: InChIKey=LMOIMHSPFQECJG-XBKFQHLESA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 11 hits for monomerid = 50333089   

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))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	155	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC5 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Histone deacetylase 7 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	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	180	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC7 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	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	78	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC1 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	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	382	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC2 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	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	89	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC3 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC11 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	284	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC4 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Histone deacetylase 9 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	302	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC9 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	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	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC6 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	152	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC10 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM50333089 ((R)-6-(19-Methoxy-11-oxo-3,13-dioxa-10-azatricyclo...) Show SMILES COc1cc2COc3ccccc3NC(=O)[C@@H](CCCCCC(=O)NO)OC\C=C/c(c2)c1 |r,c:29| Show InChI InChI=1S/C25H30N2O6/c1-31-20-15-18-8-7-13-32-23(11-3-2-4-12-24(28)27-30)25(29)26-21-9-5-6-10-22(21)33-17-19(14-18)16-20/h5-10,14-16,23,30H,2-4,11-13,17H2,1H3,(H,26,29)(H,27,28)/b8-7-/t23-/m1/s1	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	206	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of human HDAC8 by fluorimetric assay				J Med Chem 53: 8387-8399 (2010) Article DOI: 10.1021/jm101092u BindingDB Entry DOI: 10.7270/Q28G8KZJ
					More data for this Ligand-Target Pair