Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50514471'   

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))	BDBM50514471 (CHEMBL4450360) Show SMILES COc1ccc(cc1)-c1cnc(s1)-c1nc(C(=O)N[C@@H](C)c2ccc(cc2)C(=O)NO)c(s1)C1CC1 |r| Show InChI InChI=1S/C26H24N4O4S2/c1-14(15-3-7-18(8-4-15)23(31)30-33)28-24(32)21-22(17-5-6-17)36-26(29-21)25-27-13-20(35-25)16-9-11-19(34-2)12-10-16/h3-4,7-14,17,33H,5-6H2,1-2H3,(H,28,32)(H,30,31)/t14-/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	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Chinese Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of recombinant His6/GST-tagged human HDAC1 expressed in baculovirus infected High5 insect cells using Ac-Lys-Tyr-Lys(epsilon-acetyl)-AMC a...				J Med Chem 63: 804-815 (2020) Article DOI: 10.1021/acs.jmedchem.9b01792 BindingDB Entry DOI: 10.7270/Q21839VR
					More data for this Ligand-Target Pair