Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50449921'   

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))	BDBM50449921 (CHEMBL4161826) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)N1CCC(CC1)C(=O)Nc1ccc(\C=C\C(=O)NO)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C43H45Cl2N5O5/c1-5-55-36-26-31(43(2,3)4)13-20-35(36)40-47-38(28-9-14-32(44)15-10-28)39(29-11-16-33(45)17-12-29)50(40)42(53)49-24-22-30(23-25-49)41(52)46-34-18-6-27(7-19-34)8-21-37(51)48-54/h6-21,26,30,38-39,54H,5,22-25H2,1-4H3,(H,46,52)(H,48,51)/b21-8+	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	970	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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