Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50302059'   

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))	BDBM50302059 (6-((2S,5S,8S,11S)-2-(5-acetamidopentyl)-11-isobuty...) Show SMILES CC(C)C[C@H]1CC(=O)N[C@@H](CCCCCNC(C)=O)C(=O)N[C@@H](CCCCCC(O)=O)C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)N1 |r| Show InChI InChI=1S/C37H53N5O7/c1-24(2)21-28-23-33(44)40-30(17-7-5-11-20-38-25(3)43)35(47)41-31(18-6-4-8-19-34(45)46)36(48)42-32(37(49)39-28)22-27-15-12-14-26-13-9-10-16-29(26)27/h9-10,12-16,24,28,30-32H,4-8,11,17-23H2,1-3H3,(H,38,43)(H,39,49)(H,40,44)(H,41,47)(H,42,48)(H,45,46)/t28-,30-,31-,32-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 after 30 mins by fluorimetric assay				J Med Chem 52: 7836-46 (2009) Article DOI: 10.1021/jm900850t BindingDB Entry DOI: 10.7270/Q2M046DK
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