Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50449904'   

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))	BDBM50449904 (CHEMBL4174687) Show SMILES CCOc1cc(ccc1C1=NC(C(N1C(=O)NCCCCCCCC(=O)Nc1ccccc1N)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |t:10| Show InChI InChI=1S/C42H49Cl2N5O3/c1-5-52-36-27-30(42(2,3)4)20-25-33(36)40-48-38(28-16-21-31(43)22-17-28)39(29-18-23-32(44)24-19-29)49(40)41(51)46-26-12-8-6-7-9-15-37(50)47-35-14-11-10-13-34(35)45/h10-11,13-14,16-25,27,38-39H,5-9,12,15,26,45H2,1-4H3,(H,46,51)(H,47,50)	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	3.59E+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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