Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50048861'   

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))	BDBM50048861 (CHEMBL3310509) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCOCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C21H34N4O5S2/c1-14-21(29)25-9-5-7-17(25)20(28)24-15-6-3-2-4-12-31-32-13-11-30-10-8-16(18(26)22-14)23-19(15)27/h14-17H,2-13H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t14-,15-,16+,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader in presence of 0.1 mM dithiothreito...				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50048861 (CHEMBL3310509) Show SMILES [H][C@]12CCCN1C(=O)[C@H](C)NC(=O)[C@@]1([H])CCOCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C21H34N4O5S2/c1-14-21(29)25-9-5-7-17(25)20(28)24-15-6-3-2-4-12-31-32-13-11-30-10-8-16(18(26)22-14)23-19(15)27/h14-17H,2-13H2,1H3,(H,22,26)(H,23,27)(H,24,28)/t14-,15-,16+,17+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of Rajshahi Curated by ChEMBL					Assay Description Inhibition of human HDAC1 using fluorescent substrate Ac-KGLGK(Ac)-MCA after 30 mins by fluorescence plate reader				Bioorg Med Chem 22: 3850-5 (2014) Article DOI: 10.1016/j.bmc.2014.06.029 BindingDB Entry DOI: 10.7270/Q23F4R9P
					More data for this Ligand-Target Pair