Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'NAD-dependent protein deacylase sirtuin-5, mitochondrial' and Ligand = 'BDBM50255679'   

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
NAD-dependent protein deacylase sirtuin-5, mitochondrial (Homo sapiens (Human))	BDBM50255679 (CHEMBL4082324) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r| Show InChI InChI=1S/C59H79F3N10O15S/c1-32(2)26-42(70-57(85)50(34(5)6)72-47(76)29-65-52(80)37-12-8-7-9-13-37)56(84)67-40(14-10-11-25-64-45(74)28-44(58(86)87)88-31-36-15-19-38(20-16-36)59(60,61)62)54(82)68-41(23-24-48(77)78)55(83)69-43(27-35-17-21-39(73)22-18-35)53(81)66-30-46(75)71-49(33(3)4)51(63)79/h7-9,12-13,15-22,32-34,40-44,49-50,73H,10-11,14,23-31H2,1-6H3,(H2,63,79)(H,64,74)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,83)(H,70,85)(H,71,75)(H,72,76)(H,77,78)(H,86,87)/t40-,41-,42-,43-,44-,49-,50-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	804	n/a	n/a	n/a	n/a	n/a	n/a
Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany. Curated by ChEMBL					Assay Description Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...				J Med Chem 61: 2460-2471 (2018) Article DOI: 10.1021/acs.jmedchem.7b01648 BindingDB Entry DOI: 10.7270/Q2WW7M4J
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