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PubMed code 22929231

Compile data set for download or QSAR
Found 3 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50398332
PNG
(CHEMBL2177351)
Show SMILES Oc1ccc(Br)cc1\C=C1/Oc2ccccc2C1=O
Show InChI InChI=1S/C15H9BrO3/c16-10-5-6-12(17)9(7-10)8-14-15(18)11-3-1-2-4-13(11)19-14/h1-8,17H/b14-8-
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Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



University of Hyderabad Campus

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human SIRT1 expressed in Escherichia coli BL21 (DE3) PLysS using Fluor-de-Lys as substrate by fluorimetric assa...


Bioorg Med Chem Lett 22: 6160-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.017
BindingDB Entry DOI: 10.7270/Q2CV4JWF
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM50336799
PNG
(5,5',5''-[1,3,6-naphthalenetriyltris(sulfonylimino...)
Show SMILES Cc1ccc(cc1NC(=O)c1cccc(NC(=O)Nc2cccc(c2)C(=O)Nc2cc(ccc2C)C(=O)Nc2ccc(c3cc(cc(c23)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O)c1)C(=O)Nc1ccc(c2cc(cc(c12)S(O)(=O)=O)S(O)(=O)=O)S(O)(=O)=O
Show InChI InChI=1S/C51H40N6O23S6/c1-25-9-11-29(49(60)54-37-13-15-41(83(69,70)71)35-21-33(81(63,64)65)23-43(45(35)37)85(75,76)77)19-39(25)56-47(58)27-5-3-7-31(17-27)52-51(62)53-32-8-4-6-28(18-32)48(59)57-40-20-30(12-10-26(40)2)50(61)55-38-14-16-42(84(72,73)74)36-22-34(82(66,67)68)24-44(46(36)38)86(78,79)80/h3-24H,1-2H3,(H,54,60)(H,55,61)(H,56,58)(H,57,59)(H2,52,53,62)(H,63,64,65)(H,66,67,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)
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Article
PubMed
n/an/a 2.60E+3n/an/an/an/an/an/a



University of Hyderabad Campus

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human SIRT1 expressed in Escherichia coli BL21 (DE3) PLysS using Fluor-de-Lys as substrate by fluorimetric assa...


Bioorg Med Chem Lett 22: 6160-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.017
BindingDB Entry DOI: 10.7270/Q2CV4JWF
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-2


(Homo sapiens (Human))
BDBM50396053
PNG
(CHEMBL2170194)
Show SMILES O=[#6]1-[#7]-[#6](=S)-[#7]-[#6](=O)\[#6]-1=[#6]\c1cccc2ccccc12
Show InChI InChI=1S/C15H10N2O2S/c18-13-12(14(19)17-15(20)16-13)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-8H,(H2,16,17,18,19,20)
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Article
PubMed
n/an/a 1.00E+4n/an/an/an/an/an/a



University of Hyderabad Campus

Curated by ChEMBL


Assay Description
Inhibition of human SIRT2


Bioorg Med Chem Lett 22: 6160-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.017
BindingDB Entry DOI: 10.7270/Q2CV4JWF
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%