Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50539769'   

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))	BDBM50539769 (CHEMBL4637423) Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C19H20N4O4/c24-17(23-27)4-2-1-3-8-21-18-14-7-9-20-11-15(14)13-6-5-12(19(25)26)10-16(13)22-18/h5-7,9-11,27H,1-4,8H2,(H,21,22)(H,23,24)(H,25,26)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
Universidad San Pablo-CEU Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using fluorogenic substrate incubated for 30 mins by fluorescence based assay				ACS Med Chem Lett 11: 713-719 (2020) Article DOI: 10.1021/acsmedchemlett.9b00561 BindingDB Entry DOI: 10.7270/Q26M3BCW
					More data for this Ligand-Target Pair