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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 = 'BDBM50255742'   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))		BDBM50255742
PNG
(CHEMBL4104916)
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](Sc1ccccc1Cl)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/C57H77ClN10O15S/c1-31(2)26-40(66-56(81)49(33(5)6)68-46(72)29-61-51(76)35-14-8-7-9-15-35)55(80)63-38(17-12-13-25-60-44(70)28-43(57(82)83)84-42-18-11-10-16-37(42)58)53(78)64-39(23-24-47(73)74)54(79)65-41(27-34-19-21-36(69)22-20-34)52(77)62-30-45(71)67-48(32(3)4)50(59)75/h7-11,14-16,18-22,31-33,38-41,43,48-49,69H,12-13,17,23-30H2,1-6H3,(H2,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,80)(H,64,78)(H,65,79)(H,66,81)(H,67,71)(H,68,72)(H,73,74)(H,82,83)/t38-,39-,40-,41-,43-,48-,49-/m0/s1
PDB

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PC cid
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Similars
Article
PubMed
n/an/a 857n/an/an/an/an/an/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
More data for this
Ligand-Target Pair