Compile Data Set for Download or QSAR

Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50032244   

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 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 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	9.30	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC6				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					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	170	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC1				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	200	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC3				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (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)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC10				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 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 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	390	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC2				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair				3D Structure (crystal)
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50326167 (CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1 Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)	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	430	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC6				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM50326168 (CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1 |t:4| Show InChI InChI=1S/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)	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	760	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC6				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50326167 (CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1 Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)	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	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC1				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50326167 (CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1 Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.05E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC10				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50326168 (CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1 |t:4| Show InChI InChI=1S/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)	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	1.77E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC1				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50326167 (CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1 Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)	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	1.89E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC2				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Polyamine deacetylase HDAC10 (Homo sapiens (Human))	BDBM50326168 (CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1 |t:4| Show InChI InChI=1S/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.39E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC10				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50326167 (CHEMBL1243261 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)c1cc(CCCCC(=O)Nc2ccccc2)on1 Show InChI InChI=1S/C15H17N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,10,21H,4-5,8-9H2,(H,16,19)(H,17,20)	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	2.67E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC3				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50326168 (CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1 |t:4| Show InChI InChI=1S/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)	PDB 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	2.81E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC3				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair
Histone deacetylase 2 (Homo sapiens (Human))	BDBM50326168 (CHEMBL1243289 | N-Hydroxy-5-[5-oxo-5-(phenylamino)...) Show SMILES ONC(=O)C1=NOC(CCCCC(=O)Nc2ccccc2)C1 |t:4| Show InChI InChI=1S/C15H19N3O4/c19-14(16-11-6-2-1-3-7-11)9-5-4-8-12-10-13(18-22-12)15(20)17-21/h1-3,6-7,12,21H,4-5,8-10H2,(H,16,19)(H,17,20)	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	3.62E+4	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of HDAC2				Eur J Med Chem 45: 4331-8 (2010) Article DOI: 10.1016/j.ejmech.2010.06.035 BindingDB Entry DOI: 10.7270/Q20Z73GF
					More data for this Ligand-Target Pair