Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50449894'   

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))	BDBM50449894 (CHEMBL4163059) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)N1CCC(CC1)Nc1ncc(cn1)C(=O)NO)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C38H41Cl2N7O4/c1-5-51-31-20-26(38(2,3)4)10-15-30(31)34-44-32(23-6-11-27(39)12-7-23)33(24-8-13-28(40)14-9-24)47(34)37(49)46-18-16-29(17-19-46)43-36-41-21-25(22-42-36)35(48)45-50/h6-15,20-22,29,32-33,50H,5,16-19H2,1-4H3,(H,45,48)(H,41,42,43)	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	1.01E+3	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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