Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50215013'   

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))	BDBM50215013 (CHEMBL398950 | N-(2-aminophenyl)-4-(3-oxo-3-(pheny...) Show SMILES Nc1ccccc1NC(=O)c1ccc(CC(C(=O)Nc2ccccc2)C(=O)Nc2ccccc2)cc1 Show InChI InChI=1S/C29H26N4O3/c30-25-13-7-8-14-26(25)33-27(34)21-17-15-20(16-18-21)19-24(28(35)31-22-9-3-1-4-10-22)29(36)32-23-11-5-2-6-12-23/h1-18,24H,19,30H2,(H,31,35)(H,32,36)(H,33,34)	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	47	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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