Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50539772'   

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))	BDBM50539772 (CHEMBL4637976) Show SMILES OC(=O)C(F)(F)F.ONC(=O)CCCCCCCCNc1nc2cc(ccc2c2cnccc12)C(O)=O Show InChI InChI=1S/C22H26N4O4/c27-20(26-30)7-5-3-1-2-4-6-11-24-21-17-10-12-23-14-18(17)16-9-8-15(22(28)29)13-19(16)25-21/h8-10,12-14,30H,1-7,11H2,(H,24,25)(H,26,27)(H,28,29)	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	130	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
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