Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50195107'   

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))	BDBM50195107 ((S)-8-oxo-N-(2-(2-phenyl-1H-indol-3-yl)ethyl)-2-(2...) Show SMILES CC(=O)CCCCC[C@H](NC(=O)CN1CCCCC1)C(=O)NCCc1c([nH]c2ccccc12)-c1ccccc1 Show InChI InChI=1S/C32H42N4O3/c1-24(37)13-5-2-8-18-29(34-30(38)23-36-21-11-4-12-22-36)32(39)33-20-19-27-26-16-9-10-17-28(26)35-31(27)25-14-6-3-7-15-25/h3,6-7,9-10,14-17,29,35H,2,4-5,8,11-13,18-23H2,1H3,(H,33,39)(H,34,38)/t29-/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	190	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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