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BDBM50257408 CHEMBL449883::His-Lys-Lys(epsilon-thioAc)Leu-Ala

SMILES: CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(O)=O

InChI Key: InChIKey=OEIMARJIXOFKDN-NHKCCNDQSA-N

Data: 2 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50257408   
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 deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50257408
PNG
(CHEMBL449883 | His-Lys-Lys(epsilon-thioAc)Leu-Ala)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C29H51N9O6S/c1-17(2)13-24(28(42)35-18(3)29(43)44)38-27(41)23(10-6-8-12-33-19(4)45)37-26(40)22(9-5-7-11-30)36-25(39)21(31)14-20-15-32-16-34-20/h15-18,21-24H,5-14,30-31H2,1-4H3,(H,32,34)(H,33,45)(H,35,42)(H,36,39)(H,37,40)(H,38,41)(H,43,44)/t18-,21-,22-,23-,24-/m0/s1
PDB
MMDB

NCI pathway
KEGG

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.33E+4n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT2 (unknown origin) preincubated for 5 mins before addition of substrate measured after 3 hrs by fluorescence-based assa...


J Med Chem 52: 2153-6 (2009)


Article DOI: 10.1021/jm801401k
BindingDB Entry DOI: 10.7270/Q2M0459T
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50257408
PNG
(CHEMBL449883 | His-Lys-Lys(epsilon-thioAc)Leu-Ala)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCCCNC(C)=S)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](C)C(O)=O
Show InChI InChI=1S/C29H51N9O6S/c1-17(2)13-24(28(42)35-18(3)29(43)44)38-27(41)23(10-6-8-12-33-19(4)45)37-26(40)22(9-5-7-11-30)36-25(39)21(31)14-20-15-32-16-34-20/h15-18,21-24H,5-14,30-31H2,1-4H3,(H,32,34)(H,33,45)(H,35,42)(H,36,39)(H,37,40)(H,38,41)(H,43,44)/t18-,21-,22-,23-,24-/m0/s1
PDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



University of Kuopio

Curated by ChEMBL


Assay Description
Inhibition of recombinant SIRT1 (unknown origin) preincubated for 5 mins before addition of substrate measured after 1 hr by fluorescence-based assay


J Med Chem 52: 2153-6 (2009)


Article DOI: 10.1021/jm801401k
BindingDB Entry DOI: 10.7270/Q2M0459T
More data for this
Ligand-Target Pair