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2 similar compounds to monomer 50009723

Compile data set for download or QSAR
Wt: 269.3
BDBM50176911
Wt: 569.6
BDBM50350511

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50176911,50350511   
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
Tripeptidyl aminopeptidase


(Rattus norvegicus)
BDBM50176911
PNG
((2S)-aminobutyryl-L-pipecolinic acid n-butylamide ...)
Show SMILES CCCCNC(=O)[C@@H]1CCCCN1C(=O)[C@@H](N)CC
Show InChI InChI=1S/C14H27N3O2/c1-3-5-9-16-13(18)12-8-6-7-10-17(12)14(19)11(15)4-2/h11-12H,3-10,15H2,1-2H3,(H,16,18)/t11-,12-/m0/s1
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Article
PubMed
3.50E+4n/an/an/an/an/an/an/an/a



University College London

Curated by ChEMBL


Assay Description
Inhibition of TPPII in rat cererbral membrane


J Med Chem 48: 7333-42 (2005)


Article DOI: 10.1021/jm0500830
BindingDB Entry DOI: 10.7270/Q2KK9CMS
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-3 (SIRT3)


(Homo sapiens (Human))
BDBM50350511
PNG
(CHEMBL1814816)
Show SMILES CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCCC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C26H47N7O7/c1-17(34)29-15-9-7-11-20(24(28)38)32-26(40)22(12-5-4-6-14-23(27)37)33-25(39)21(31-19(3)36)13-8-10-16-30-18(2)35/h20-22H,4-16H2,1-3H3,(H2,27,37)(H2,28,38)(H,29,34)(H,30,35)(H,31,36)(H,32,40)(H,33,39)/t20-,21-,22-/m0/s1
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Article
PubMed
n/an/a 2.14E+5n/an/an/an/an/an/a



University of Akron

Curated by ChEMBL


Assay Description
Inhibition of human SIRT3 (102-399) using H2N-KRLPKTRSG-AcK-VMRRLLRKII-COOH as substrate assessed as enzymatic deacetylation product formation after ...


Bioorg Med Chem Lett 21: 4753-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.069
BindingDB Entry DOI: 10.7270/Q2DB827S
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50350511
PNG
(CHEMBL1814816)
Show SMILES CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCCC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C26H47N7O7/c1-17(34)29-15-9-7-11-20(24(28)38)32-26(40)22(12-5-4-6-14-23(27)37)33-25(39)21(31-19(3)36)13-8-10-16-30-18(2)35/h20-22H,4-16H2,1-3H3,(H2,27,37)(H2,28,38)(H,29,34)(H,30,35)(H,31,36)(H,32,40)(H,33,39)/t20-,21-,22-/m0/s1
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Article
PubMed
n/an/a 2.90E+5n/an/an/an/an/an/a



University of Akron

Curated by ChEMBL


Assay Description
Inhibition of human GST-tagged SIRT1 using H2NHK-AcK-LM-COOH as substrate assessed as enzymatic deacetylation product formation after 5 mins by HPLC ...


Bioorg Med Chem Lett 21: 4753-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.069
BindingDB Entry DOI: 10.7270/Q2DB827S
More data for this
Ligand-Target Pair
NAD-dependent deacetylase sirtuin 2


(Homo sapiens (Human))
BDBM50350511
PNG
(CHEMBL1814816)
Show SMILES CC(=O)NCCCC[C@H](NC(=O)[C@H](CCCCCC(N)=O)NC(=O)[C@H](CCCCNC(C)=O)NC(C)=O)C(N)=O
Show InChI InChI=1S/C26H47N7O7/c1-17(34)29-15-9-7-11-20(24(28)38)32-26(40)22(12-5-4-6-14-23(27)37)33-25(39)21(31-19(3)36)13-8-10-16-30-18(2)35/h20-22H,4-16H2,1-3H3,(H2,27,37)(H2,28,38)(H,29,34)(H,30,35)(H,31,36)(H,32,40)(H,33,39)/t20-,21-,22-/m0/s1
PDB
MMDB

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Article
PubMed
n/an/a 1.90E+5n/an/an/an/an/an/a



University of Akron

Curated by ChEMBL


Assay Description
Inhibition of human full length SIRT2 using H2N-MPSD-AcK-TIGG-COOH as substrate assessed as enzymatic deacetylation product formation after 60 mins b...


Bioorg Med Chem Lett 21: 4753-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.069
BindingDB Entry DOI: 10.7270/Q2DB827S
More data for this
Ligand-Target Pair