Compile Data Set for Download or QSAR

Found 10 hits Enz. Inhib. hit(s) with all data for entry = 7505   

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))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair
Histone deacetylase 6 (Homo sapiens (Human))	BDBM198192 ((S,E)-N-hydroxy-3-(3-(N-(2-(naphthalen-1-ylamino)-...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N[C@H](C(=O)Nc1cccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C27H23N3O5S/c31-25(29-33)17-16-19-8-6-13-22(18-19)36(34,35)30-26(21-10-2-1-3-11-21)27(32)28-24-15-7-12-20-9-4-5-14-23(20)24/h1-18,26,30,33H,(H,28,32)(H,29,31)/b17-16+/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	80	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM198192 ((S,E)-N-hydroxy-3-(3-(N-(2-(naphthalen-1-ylamino)-...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N[C@H](C(=O)Nc1cccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C27H23N3O5S/c31-25(29-33)17-16-19-8-6-13-22(18-19)36(34,35)30-26(21-10-2-1-3-11-21)27(32)28-24-15-7-12-20-9-4-5-14-23(20)24/h1-18,26,30,33H,(H,28,32)(H,29,31)/b17-16+/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	353	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair
Histone deacetylase 8 (Homo sapiens (Human))	BDBM198192 ((S,E)-N-hydroxy-3-(3-(N-(2-(naphthalen-1-ylamino)-...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N[C@H](C(=O)Nc1cccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C27H23N3O5S/c31-25(29-33)17-16-19-8-6-13-22(18-19)36(34,35)30-26(21-10-2-1-3-11-21)27(32)28-24-15-7-12-20-9-4-5-14-23(20)24/h1-18,26,30,33H,(H,28,32)(H,29,31)/b17-16+/t26-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	659	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM198192 ((S,E)-N-hydroxy-3-(3-(N-(2-(naphthalen-1-ylamino)-...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N[C@H](C(=O)Nc1cccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C27H23N3O5S/c31-25(29-33)17-16-19-8-6-13-22(18-19)36(34,35)30-26(21-10-2-1-3-11-21)27(32)28-24-15-7-12-20-9-4-5-14-23(20)24/h1-18,26,30,33H,(H,28,32)(H,29,31)/b17-16+/t26-/m0/s1	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	9.85E+3	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair
Histone deacetylase 4 (Homo sapiens (Human))	BDBM198192 ((S,E)-N-hydroxy-3-(3-(N-(2-(naphthalen-1-ylamino)-...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)N[C@H](C(=O)Nc1cccc2ccccc12)c1ccccc1 Show InChI InChI=1S/C27H23N3O5S/c31-25(29-33)17-16-19-8-6-13-22(18-19)36(34,35)30-26(21-10-2-1-3-11-21)27(32)28-24-15-7-12-20-9-4-5-14-23(20)24/h1-18,26,30,33H,(H,28,32)(H,29,31)/b17-16+/t26-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair
Histone deacetylase 11 (Homo sapiens (Human))	BDBM25150 ((2E)-N-hydroxy-3-[3-(phenylsulfamoyl)phenyl]prop-2...) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)Nc1ccccc1 Show InChI InChI=1S/C15H14N2O4S/c18-15(16-19)10-9-12-5-4-8-14(11-12)22(20,21)17-13-6-2-1-3-7-13/h1-11,17,19H,(H,16,18)/b10-9+	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shandong University					Assay Description In brief, 10 μL of enzyme solution (HeLa nuclear extracts, HDAC1, HDAC4, HDAC6, HDAC8, HDAC11) was mixed with various concentrations of target c...				Chem Biol Drug Des 88: 574-84 (2016) Article DOI: 10.1111/cbdd.12787 BindingDB Entry DOI: 10.7270/Q2D50KSD
					More data for this Ligand-Target Pair