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BDBM50255672 CHEMBL4068050

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)cc1)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=BXSYEELDYWTYEZ-CCMSRGMGSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50255672   
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 deacetylase sirtuin-5 (SIRT5)


(Homo sapiens (Human))		BDBM50255672
PNG
(CHEMBL4068050)
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)cc1)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/C58H79ClN10O15S/c1-32(2)26-42(67-57(82)50(34(5)6)69-47(73)29-62-52(77)37-12-8-7-9-13-37)56(81)64-40(14-10-11-25-61-45(71)28-44(58(83)84)85-31-36-15-19-38(59)20-16-36)54(79)65-41(23-24-48(74)75)55(80)66-43(27-35-17-21-39(70)22-18-35)53(78)63-30-46(72)68-49(33(3)4)51(60)76/h7-9,12-13,15-22,32-34,40-44,49-50,70H,10-11,14,23-31H2,1-6H3,(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)/t40-,41-,42-,43-,44-,49-,50-/m0/s1
PDB

UniProtKB/SwissProt
UniProtKB/TrEMBL

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Article
PubMed
n/an/a 893n/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