Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50215008'   

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))	BDBM50215008 (4-(1,3-dioxo-1,3-bis(phenylamino)propan-2-yl)-N-hy...) Show SMILES ONC(=O)c1ccc(cc1)C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 Show InChI InChI=1S/C22H19N3O4/c26-20(25-29)16-13-11-15(12-14-16)19(21(27)23-17-7-3-1-4-8-17)22(28)24-18-9-5-2-6-10-18/h1-14,19,29H,(H,23,27)(H,24,28)(H,25,26)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human HDAC1 expressed in domain of SMRT				Bioorg Med Chem Lett 17: 4619-24 (2007) Article DOI: 10.1016/j.bmcl.2007.05.080 BindingDB Entry DOI: 10.7270/Q2WH2PPV
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