Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50361178'   

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))	BDBM50361178 (CHEMBL4160833) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCC(CC2)C(=O)NCCCCCC(=O)NO)n1 Show InChI InChI=1S/C29H37N7O5S/c1-42(40,41)35-24-8-6-21(7-9-24)26-14-18-31-29(33-26)32-23-10-12-25(13-11-23)36-19-15-22(16-20-36)28(38)30-17-4-2-3-5-27(37)34-39/h6-14,18,22,35,39H,2-5,15-17,19-20H2,1H3,(H,30,38)(H,34,37)(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	350	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of full length human recombinant HDAC1 expressed in baculovirus expression system using (Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated ...				J Med Chem 61: 6056-6074 (2018) Article DOI: 10.1021/acs.jmedchem.8b00393 BindingDB Entry DOI: 10.7270/Q2RN3BDN
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