Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50258575'   

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))	BDBM50258575 ((S)-1-methyl-N-(7-oxo-1-(5-(quinolin-2-yl)-1H-imid...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)C1CCN(C)CC1)c1nc(c[nH]1)-c1ccc2ccccc2n1 |r| Show InChI InChI=1S/C28H37N5O2/c1-3-22(34)10-5-4-6-12-25(32-28(35)21-15-17-33(2)18-16-21)27-29-19-26(31-27)24-14-13-20-9-7-8-11-23(20)30-24/h7-9,11,13-14,19,21,25H,3-6,10,12,15-18H2,1-2H3,(H,29,31)(H,32,35)/t25-/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	22	n/a	n/a	n/a	n/a	n/a	n/a
IRBM/Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human C-terminal FLAG-tagged HDAC1 in HEK293 cells				J Med Chem 52: 3453-6 (2009) Article DOI: 10.1021/jm9004303 BindingDB Entry DOI: 10.7270/Q2Q24044
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