Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50195116'   

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))	BDBM50195116 (CHEMBL217314 | N-((S)-1-(biphenyl-3-ylamino)-1,8-d...) Show SMILES CN1CCCCC1C(=O)N[C@@H](CCCCCC(C)=O)C(=O)Nc1cccc(c1)-c1ccccc1 Show InChI InChI=1S/C28H37N3O3/c1-21(32)12-5-3-8-17-25(30-28(34)26-18-9-10-19-31(26)2)27(33)29-24-16-11-15-23(20-24)22-13-6-4-7-14-22/h4,6-7,11,13-16,20,25-26H,3,5,8-10,12,17-19H2,1-2H3,(H,29,33)(H,30,34)/t25-,26?/m0/s1	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	79	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of HDAC1 (mean IC50)				Bioorg Med Chem Lett 16: 5948-52 (2006) Article DOI: 10.1016/j.bmcl.2006.09.002 BindingDB Entry DOI: 10.7270/Q2RN38PD
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