Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50196596'   

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))	BDBM50196596 (8-(4-(2-(1H-indol-3-yl)acetamido)phenyl1H-indol-3-...) Show SMILES ONC(=O)CCCCCCCOc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 Show InChI InChI=1S/C24H29N3O4/c28-23(27-30)10-4-2-1-3-7-15-31-20-13-11-19(12-14-20)26-24(29)16-18-17-25-22-9-6-5-8-21(18)22/h5-6,8-9,11-14,17,25,30H,1-4,7,10,15-16H2,(H,26,29)(H,27,28)	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
University College London Curated by ChEMBL					Assay Description In vitro inhibition of histone deacetylase activity using HeLa cell nuclear extract as enzyme source				Bioorg Med Chem Lett 17: 136-41 (2006) Article DOI: 10.1016/j.bmcl.2006.09.085 BindingDB Entry DOI: 10.7270/Q2B56JDQ
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