Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50538639'   

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))	BDBM50538639 (CHEMBL4647467) Show SMILES Cc1[nH]ncc1-c1ccc(cc1)C1(CCCC1)C(=O)Nc1ccc(cc1)C(=O)NO Show InChI InChI=1S/C23H24N4O3/c1-15-20(14-24-26-15)16-4-8-18(9-5-16)23(12-2-3-13-23)22(29)25-19-10-6-17(7-11-19)21(28)27-30/h4-11,14,30H,2-3,12-13H2,1H3,(H,24,26)(H,25,29)(H,27,28)	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	5	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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