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PubMed code 26025875

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))		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 2.80E+3n/an/an/an/an/an/a



National Institute of Technology Karnataka

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using AMC-Arg-His-Lys-Lys(Ac) substrate assessed as deacetylation of substrate by fluorimetric enzyme assay

Bioorg Med Chem Lett 25: 2768-72 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.015
BindingDB Entry DOI: 10.7270/Q21V5GQN
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50094921
PNG
(CHEMBL3589223)
Show SMILES CC1=NOC(=O)\C1=C\c1c(COCc2ccc(cc2)C(F)(F)F)n(C)c2ccc(F)cc12 |t:1|
Show InChI InChI=1S/C23H18F4N2O3/c1-13-17(22(30)32-28-13)10-19-18-9-16(24)7-8-20(18)29(2)21(19)12-31-11-14-3-5-15(6-4-14)23(25,26)27/h3-10H,11-12H2,1-2H3/b17-10+
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n/an/a 3.53E+4n/an/an/an/an/an/a



National Institute of Technology Karnataka

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using AMC-Arg-His-Lys-Lys(Ac) substrate assessed as deacetylation of substrate by fluorimetric enzyme assay

Bioorg Med Chem Lett 25: 2768-72 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.015
BindingDB Entry DOI: 10.7270/Q21V5GQN
More data for this
Ligand-Target Pair
NAD-dependent protein deacetylase sirtuin-1


(Homo sapiens (Human))		BDBM50094920
PNG
(CHEMBL3589224)
Show SMILES Cn1c(COCc2ccc(cc2)C(F)(F)F)c(\C=C2\C(=O)ON=C2C(F)(F)F)c2cc(F)ccc12 |c:23|
Show InChI InChI=1S/C23H15F7N2O3/c1-32-18-7-6-14(24)8-15(18)16(9-17-20(23(28,29)30)31-35-21(17)33)19(32)11-34-10-12-2-4-13(5-3-12)22(25,26)27/h2-9H,10-11H2,1H3/b17-9+
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PubMed
n/an/a 3.74E+4n/an/an/an/an/an/a



National Institute of Technology Karnataka

Curated by ChEMBL


Assay Description
Inhibition of SIRT1 (unknown origin) using AMC-Arg-His-Lys-Lys(Ac) substrate assessed as deacetylation of substrate by fluorimetric enzyme assay

Bioorg Med Chem Lett 25: 2768-72 (2015)


Article DOI: 10.1016/j.bmcl.2015.05.015
BindingDB Entry DOI: 10.7270/Q21V5GQN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%