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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(Cl)c(Cl)c1)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

InChI Key: InChIKey=ZCDCOHCSOFJOSH-PKUKCYOKSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255770   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/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))		BDBM50255770
PNG
(CHEMBL4073591)
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(Cl)c(Cl)c1)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/C58H78Cl2N10O15S/c1-31(2)24-42(68-57(83)50(33(5)6)70-47(74)28-63-52(78)36-12-8-7-9-13-36)56(82)65-40(14-10-11-23-62-45(72)27-44(58(84)85)86-30-35-17-20-38(59)39(60)25-35)54(80)66-41(21-22-48(75)76)55(81)67-43(26-34-15-18-37(71)19-16-34)53(79)64-29-46(73)69-49(32(3)4)51(61)77/h7-9,12-13,15-20,25,31-33,40-44,49-50,71H,10-11,14,21-24,26-30H2,1-6H3,(H2,61,77)(H,62,72)(H,63,78)(H,64,79)(H,65,82)(H,66,80)(H,67,81)(H,68,83)(H,69,73)(H,70,74)(H,75,76)(H,84,85)/t40-,41-,42-,43-,44+,49-,50-/m0/s1
PDB

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Article
PubMed
n/an/a 780n/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