Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50449897'   

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))	BDBM50449897 (CHEMBL4163120) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)NCCCCCCCC(=O)NO)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C36H44Cl2N4O4/c1-5-46-30-23-26(36(2,3)4)16-21-29(30)34-40-32(24-12-17-27(37)18-13-24)33(25-14-19-28(38)20-15-25)42(34)35(44)39-22-10-8-6-7-9-11-31(43)41-45/h12-21,23,32-33,45H,5-11,22H2,1-4H3,(H,39,44)(H,41,43)	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	270	n/a	n/a	n/a	n/a	n/a	n/a
East China University of Science and Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant full length HDAC1 using fluorogenic substrate 3 after 30 mins by fluorescence assay				J Med Chem 61: 7245-7260 (2018) Article DOI: 10.1021/acs.jmedchem.8b00664 BindingDB Entry DOI: 10.7270/Q2R213Z9
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