Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50048860'   

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))	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/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	4.90	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))	BDBM50048860 (CHEMBL3310508) Show SMILES [H][C@]12CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@@]1([H])CCCCCSSCCCCC[C@]([H])(NC2=O)C(=O)N1 |r| Show InChI InChI=1S/C28H40N4O4S2/c33-25-22-14-7-3-9-18-38-37-17-8-2-6-13-21(29-25)26(34)31-23(19-20-11-4-1-5-12-20)28(36)32-16-10-15-24(32)27(35)30-22/h1,4-5,11-12,21-24H,2-3,6-10,13-19H2,(H,29,33)(H,30,35)(H,31,34)/t21-,22+,23+,24-/m1/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