Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50042978   

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 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	4	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 60 mins by fluorescence assay				J Med Chem 56: 4816-20 (2013) Article DOI: 10.1021/jm400390r BindingDB Entry DOI: 10.7270/Q27H1M0S
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50434125 (CHEMBL2381524) Show SMILES ONC(=O)c1cccc(\C=C\C(=O)Nc2ccccc2)c1 Show InChI InChI=1S/C16H14N2O3/c19-15(17-14-7-2-1-3-8-14)10-9-12-5-4-6-13(11-12)16(20)18-21/h1-11,21H,(H,17,19)(H,18,20)/b10-9+	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	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 60 mins by fluorescence assay				J Med Chem 56: 4816-20 (2013) Article DOI: 10.1021/jm400390r BindingDB Entry DOI: 10.7270/Q27H1M0S
					More data for this Ligand-Target Pair
Histone deacetylase 3 (Homo sapiens (Human))	BDBM50434126 (CHEMBL2381517) Show SMILES ONC(=O)c1cccc(c1)C(=O)NCCc1ccccc1 Show InChI InChI=1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Broad Institute of MIT and Harvard Curated by ChEMBL					Assay Description Inhibition of HDAC3 (unknown origin) after 60 mins by fluorescence assay				J Med Chem 56: 4816-20 (2013) Article DOI: 10.1021/jm400390r BindingDB Entry DOI: 10.7270/Q27H1M0S
					More data for this Ligand-Target Pair