Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50241448'   

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))	BDBM50241448 (CHEMBL4064385) Show SMILES Nc1ccccc1NC(=O)c1ccc(Cn2cc(nn2)-c2ccc(NC(=O)NCc3cccnc3)cc2)cc1 Show InChI InChI=1S/C29H26N8O2/c30-25-5-1-2-6-26(25)34-28(38)23-9-7-20(8-10-23)18-37-19-27(35-36-37)22-11-13-24(14-12-22)33-29(39)32-17-21-4-3-15-31-16-21/h1-16,19H,17-18,30H2,(H,34,38)(H2,32,33,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 (1 to 482 residues) expressed in Baculovirus using Ac-Leu-Gly-Lys(Ac)-AMC as substrate preincubated for 5 mins ...				J Med Chem 60: 7965-7983 (2017) Article DOI: 10.1021/acs.jmedchem.7b00467 BindingDB Entry DOI: 10.7270/Q2VM4FDV
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