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USPatent US8835659

Compile data set for download or QSAR
Found 7 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))
BDBM131030
PNG
(US8835659, 11)
Show SMILES Oc1cc(O)c2cc(oc2c1)-c1cc(O)c(O)c(O)c1
Show InChI InChI=1S/C14H10O6/c15-7-3-9(16)8-5-12(20-13(8)4-7)6-1-10(17)14(19)11(18)2-6/h1-5,15-19H
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US Patent
n/an/a 1.84E+3n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
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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US Patent
n/an/a 2.62E+3n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM131032
PNG
(US8835659, 15)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c12
Show InChI InChI=1S/C14H10O4/c15-9-3-1-8(2-4-9)11-7-18-13-6-10(16)5-12(17)14(11)13/h1-7,15-17H
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n/an/a 2.28E+4n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM131031
PNG
(US8835659, 13)
Show SMILES Oc1cc(O)c2cc(oc2c1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H8F2O3/c15-8-1-7(2-9(16)3-8)13-6-11-12(18)4-10(17)5-14(11)19-13/h1-6,17-18H
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US Patent
n/an/a 3.67E+4n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM131035
PNG
(US8835659, 20)
Show SMILES Oc1cc(O)c2c(c(Br)oc2c1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H7BrF2O3/c15-14-12(6-1-7(16)3-8(17)2-6)13-10(19)4-9(18)5-11(13)20-14/h1-5,18-19H
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n/an/a 7.63E+4n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM131034
PNG
(US8835659, 19)
Show SMILES Oc1cc(O)c2c(coc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C14H9FO3/c15-9-3-1-8(2-4-9)11-7-18-13-6-10(16)5-12(17)14(11)13/h1-7,16-17H
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US Patent
n/an/a 1.92E+5n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))
BDBM131033
PNG
(US8835659, 16)
Show SMILES Oc1cc(O)c2c(coc2c1)-c1cc(F)cc(F)c1
Show InChI InChI=1S/C14H8F2O3/c15-8-1-7(2-9(16)3-8)11-6-19-13-5-10(17)4-12(18)14(11)13/h1-6,17-18H
PDB

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US Patent
n/an/a 2.74E+5n/an/an/an/a8.0n/a



Ikerchem, S.L.; Universidad del Pais Vasco

US Patent


Assay Description
50 uM of substrate peptide (acetylated AMC-labeled peptide from p53 residues 379-382, RHKKAc, BioMol. Cat. #KI-177), 91 nM of human SIRT1 (full lengt...


US Patent US8835659 (2014)


BindingDB Entry DOI: 10.7270/Q29K48ZN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%