Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50538648'   

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))	BDBM50538648 (CHEMBL4640415) Show SMILES ONC(=O)c1ccc(NC(=O)C2(CCCC2)c2ccc(cc2)-c2cccc(c2)C(O)=O)cc1 Show InChI InChI=1S/C26H24N2O5/c29-23(28-33)18-8-12-22(13-9-18)27-25(32)26(14-1-2-15-26)21-10-6-17(7-11-21)19-4-3-5-20(16-19)24(30)31/h3-13,16,33H,1-2,14-15H2,(H,27,32)(H,28,29)(H,30,31)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
The University of Queensland Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 pre-incubated for 30 mins before Ac-Leu- Gly-Lys(Ac)-AMC substrate addition and measured after 90 mins by fluor...				J Med Chem 63: 5956-5971 (2020) Article DOI: 10.1021/acs.jmedchem.0c00230 BindingDB Entry DOI: 10.7270/Q2J969WB
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