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PubMed code 23195732

Compile data set for download or QSAR
Found 4 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 deacylase sirtuin-5, mitochondrial


(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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PDB
Article
PubMed
n/an/a 1.42E+4n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human Sirt5 deacetylation activity using FKRGVL-acetylLys-EYGVKV as substrate after 60 mins by glutamate dehydrogenase-coupled assay

Bioorg Med Chem Lett 23: 143-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.136
BindingDB Entry DOI: 10.7270/Q2416ZC0
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))		BDBM50358043
PNG
(CHEMBL1794051 | GW-5074)
Show SMILES OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H
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n/an/a 1.95E+4n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human Sirt5 desuccinylation activity using SKEYFS-succinylLys-QK as substrate measured for 15 mins by MS analysis

Bioorg Med Chem Lett 23: 143-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.136
BindingDB Entry DOI: 10.7270/Q2416ZC0
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))		BDBM50358043
PNG
(CHEMBL1794051 | GW-5074)
Show SMILES OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H
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n/an/a 9.78E+4n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human Sirt5 deacetylation activity using FKRGVL-acetylLys-EYGVKV as substrate measured for 15 mins by MS analysis

Bioorg Med Chem Lett 23: 143-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.136
BindingDB Entry DOI: 10.7270/Q2416ZC0
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))		BDBM50358043
PNG
(CHEMBL1794051 | GW-5074)
Show SMILES OC1Nc2ccc(I)cc2C1=Cc1cc(Br)c(O)c(Br)c1
Show InChI InChI=1S/C15H10Br2INO2/c16-11-4-7(5-12(17)14(11)20)3-10-9-6-8(18)1-2-13(9)19-15(10)21/h1-6,15,19-21H
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antibodypedia
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PubMed
n/an/a 2.00E+5n/an/an/an/an/an/a



University of Bayreuth

Curated by ChEMBL


Assay Description
Inhibition of human Sirt5 deacetylation activity using SKEYFS-acetylLys-QK as substrate measured for 15 mins by MS analysis

Bioorg Med Chem Lett 23: 143-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.136
BindingDB Entry DOI: 10.7270/Q2416ZC0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%