Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50258366'   

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))	BDBM50258366 ((S)-N-(1-(5-(4-methoxyquinolin-2-yl)-1H-imidazol-2...) Show SMILES CCC(=O)CCCCC[C@H](NC(=O)CCN1CCN(C)CC1)c1ncc([nH]1)-c1cc(OC)c2ccccc2n1 |r| Show InChI InChI=1S/C29H40N6O3/c1-21(36)9-5-4-6-12-24(32-28(37)13-14-35-17-15-34(2)16-18-35)29-30-20-26(33-29)25-19-27(38-3)22-10-7-8-11-23(22)31-25/h7-8,10-11,19-20,24H,4-6,9,12-18H2,1-3H3,(H,30,33)(H,32,37)/t24-/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	17	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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