Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Histone deacetylase 1' and Ligand = 'BDBM152482'   

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))	BDBM152482 ((Z-L-Am7(S-)-QA)2 (4)) Show SMILES O=C(NC(CCCCCSSCCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1cccc2cccnc12)C(=O)Nc1cccc2cccnc12)OCc1ccccc1 |r| Show InChI InChI=1S/C48H52N6O6S2/c55-45(51-39-27-13-21-37-23-15-29-49-43(37)39)41(53-47(57)59-33-35-17-5-1-6-18-35)25-9-3-11-31-61-62-32-12-4-10-26-42(54-48(58)60-34-36-19-7-2-8-20-36)46(56)52-40-28-14-22-38-24-16-30-50-44(38)40/h1-2,5-8,13-24,27-30,41-42H,3-4,9-12,25-26,31-34H2,(H,51,55)(H,52,56)(H,53,57)(H,54,58)/t41-,42?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.20	n/a	n/a	n/a	n/a	n/a	n/a
Kyushu Institute of Technology					Assay Description For the enzyme assay, 10 µL of the enzyme fraction was added to 1 µL of fluorescent substrate (2 mM Ac-KGLGK(Ac)-MCA) and 9 µL of histone deacetylase...				Bioorg Chem 59: 145-50 (2015) Article DOI: 10.1016/j.bioorg.2015.02.009 BindingDB Entry DOI: 10.7270/Q2T152C2
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