Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM50386470'   

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))	BDBM50386470 (CHEMBL2047678) Show SMILES NN=C(Cc1ccc(O)c(Br)c1)C(=O)NCCSSCCNC(=O)C(Cc1ccc(O)c(Br)c1)=NN |w:1.0,34.36| Show InChI InChI=1S/C22H26Br2N6O4S2/c23-15-9-13(1-3-19(15)31)11-17(29-25)21(33)27-5-7-35-36-8-6-28-22(34)18(30-26)12-14-2-4-20(32)16(24)10-14/h1-4,9-10,31-32H,5-8,11-12,25-26H2,(H,27,33)(H,28,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Imperial College London Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Boc-lys(Ac)-AMC as substrate preincubated for 20 mins with substrate measured after 60 mins by fluorescen...				J Med Chem 55: 1731-50 (2012) Article DOI: 10.1021/jm2016182 BindingDB Entry DOI: 10.7270/Q22F7PHC
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