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3 similar compounds to monomer 31960

Compile data set for download or QSAR
Wt: 482.0
BDBM50428995
Wt: 490.1
BDBM50429004
Wt: 558.1
BDBM50429007

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50428995,50429004,50429007   
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-1


(Homo sapiens (Human))
BDBM50428995
PNG
(CHEMBL2333658)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)C(F)(F)F)c(O)c1Br
Show InChI InChI=1S/C15H9Br2F3N2O3/c16-10-5-8(12(23)11(17)13(10)24)6-21-22-14(25)7-1-3-9(4-2-7)15(18,19)20/h1-6,23-24H,(H,22,25)/b21-6+
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B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 2.05E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50429007
PNG
(CHEMBL2333667)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2ccc(cc2)-c2ccccc2C(F)(F)F)c(O)c1Br
Show InChI InChI=1S/C21H13Br2F3N2O3/c22-16-9-13(18(29)17(23)19(16)30)10-27-28-20(31)12-7-5-11(6-8-12)14-3-1-2-4-15(14)21(24,25)26/h1-10,29-30H,(H,28,31)/b27-10+
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B.MOAD
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CHEMBL
PC cid
PC sid
UniChem

Similars

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



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair
NAD-Dependent Deacetylase Sirtuin-1


(Homo sapiens (Human))
BDBM50429004
PNG
(CHEMBL2333670)
Show SMILES Oc1c(Br)cc(\C=N\NC(=O)c2cccc(c2)-c2ccccc2)c(O)c1Br
Show InChI InChI=1S/C20H14Br2N2O3/c21-16-10-15(18(25)17(22)19(16)26)11-23-24-20(27)14-8-4-7-13(9-14)12-5-2-1-3-6-12/h1-11,25-26H,(H,24,27)/b23-11+
PDB

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PC cid
PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.83E+4n/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Activation of N-terminal His6-tagged SIRT1 (156 to 664 amino acid residues) (unknown origin) expressed in Escherichia coli BL21(DE3) using ac-RHKKac-...


J Med Chem 56: 761-80 (2013)


Article DOI: 10.1021/jm301032j
BindingDB Entry DOI: 10.7270/Q2XP768M
More data for this
Ligand-Target Pair