Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50449908'   

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))	BDBM50449908 (CHEMBL4168217) Show SMILES CCOc1cc(ccc1C1=N[C@@H]([C@@H](N1C(=O)N1CCN(CCCCCCC(=O)NO)CC1)c1ccc(Cl)cc1)c1ccc(Cl)cc1)C(C)(C)C |r,t:10| Show InChI InChI=1S/C39H49Cl2N5O4/c1-5-50-33-26-29(39(2,3)4)15-20-32(33)37-42-35(27-11-16-30(40)17-12-27)36(28-13-18-31(41)19-14-28)46(37)38(48)45-24-22-44(23-25-45)21-9-7-6-8-10-34(47)43-49/h11-20,26,35-36,49H,5-10,21-25H2,1-4H3,(H,43,47)/t35-,36+/m1/s1	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	910	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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