Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 50048039   

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 1 (Homo sapiens (Human))	BDBM50201999 (CHEMBL3925939) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)c1ccc2cccc(F)c2n1 Show InChI InChI=1S/C18H13FN2O4S/c19-15-6-2-4-13-8-10-17(20-18(13)15)26(24,25)14-5-1-3-12(11-14)7-9-16(22)21-23/h1-11,23H,(H,21,22)/b9-7+	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	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His/FLAG-tagged full length recombinant human HDAC1 expressed in baculovirus expression system assessed as release of 7-amin...				Eur J Med Chem 122: 92-101 (2016) Article DOI: 10.1016/j.ejmech.2016.06.023 BindingDB Entry DOI: 10.7270/Q2J38VJ5
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50202000 (CHEMBL3973951) Show SMILES ONC(=O)\C=C\c1cccc(c1)S(=O)(=O)c1ccc2ccccc2n1 Show InChI InChI=1S/C18H14N2O4S/c21-17(20-22)10-8-13-4-3-6-15(12-13)25(23,24)18-11-9-14-5-1-2-7-16(14)19-18/h1-12,22H,(H,20,21)/b10-8+	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His/FLAG-tagged full length recombinant human HDAC1 expressed in baculovirus expression system assessed as release of 7-amin...				Eur J Med Chem 122: 92-101 (2016) Article DOI: 10.1016/j.ejmech.2016.06.023 BindingDB Entry DOI: 10.7270/Q2J38VJ5
					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	48	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His/FLAG-tagged full length recombinant human HDAC1 expressed in baculovirus expression system assessed as release of 7-amin...				Eur J Med Chem 122: 92-101 (2016) Article DOI: 10.1016/j.ejmech.2016.06.023 BindingDB Entry DOI: 10.7270/Q2J38VJ5
					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	110	n/a	n/a	n/a	n/a	n/a	n/a
Taipei Medical University Curated by ChEMBL					Assay Description Inhibition of C-terminal His/FLAG-tagged full length recombinant human HDAC1 expressed in baculovirus expression system assessed as release of 7-amin...				Eur J Med Chem 122: 92-101 (2016) Article DOI: 10.1016/j.ejmech.2016.06.023 BindingDB Entry DOI: 10.7270/Q2J38VJ5
					More data for this Ligand-Target Pair				3D Structure (crystal)