Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50511920'   

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))	BDBM50511920 (CHEMBL4546176) Show SMILES CN(Cc1ccc(cc1)-n1cnn(CCCCc2ccc(cc2)C(=O)NO)c1=O)CC(O)(Cn1cncn1)c1ccc(F)cc1F Show InChI InChI=1S/C32H34F2N8O4/c1-39(18-32(45,19-40-21-35-20-36-40)28-14-11-26(33)16-29(28)34)17-24-7-12-27(13-8-24)41-22-37-42(31(41)44)15-3-2-4-23-5-9-25(10-6-23)30(43)38-46/h5-14,16,20-22,45-46H,2-4,15,17-19H2,1H3,(H,38,43)	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	280	n/a	n/a	n/a	n/a	n/a	n/a
Second Military Medical University Curated by ChEMBL					Assay Description Inhibition of HDAC1 (unknown origin) after 30 mins by fluorescence based assay				J Med Chem 63: 5341-5359 (2020) Article DOI: 10.1021/acs.jmedchem.0c00102 BindingDB Entry DOI: 10.7270/Q2G73J21
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