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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](Sc1cc(Cl)cc(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=DIUIGEYUVKCEAG-MJPVMZQBSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255660   
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))		BDBM50255660
PNG
(CHEMBL4071831)
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](Sc1cc(Cl)cc(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/C57H76Cl2N10O15S/c1-30(2)22-41(67-56(82)49(32(5)6)69-46(73)28-62-51(77)34-12-8-7-9-13-34)55(81)64-39(14-10-11-21-61-44(71)27-43(57(83)84)85-38-25-35(58)24-36(59)26-38)53(79)65-40(19-20-47(74)75)54(80)66-42(23-33-15-17-37(70)18-16-33)52(78)63-29-45(72)68-48(31(3)4)50(60)76/h7-9,12-13,15-18,24-26,30-32,39-43,48-49,70H,10-11,14,19-23,27-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t39-,40-,41-,42-,43+,48-,49-/m0/s1
PDB

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Article
PubMed
n/an/a 647n/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