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Compile Data Set for Download or QSAR

Found 126 hits with Last Name = 'popp' and Initial = 'c'   
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))
BDBM50255691
PNG
(CHEMBL4092751)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(SCCc1ccncc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H81N11O15S/c1-33(2)28-42(67-57(82)50(35(5)6)69-47(73)31-62-52(77)38-12-8-7-9-13-38)56(81)64-40(14-10-11-24-61-45(71)30-44(58(83)84)85-27-23-36-21-25-60-26-22-36)54(79)65-41(19-20-48(74)75)55(80)66-43(29-37-15-17-39(70)18-16-37)53(78)63-32-46(72)68-49(34(3)4)51(59)76/h7-9,12-13,15-18,21-22,25-26,33-35,40-44,49-50,70H,10-11,14,19-20,23-24,27-32H2,1-6H3,(H2,59,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44?,49-,50-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255693
PNG
(CHEMBL4073655)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCCc1c(C)noc1C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H83N11O16S/c1-31(2)26-42(66-57(82)50(33(5)6)68-47(73)29-61-52(77)37-14-10-9-11-15-37)56(81)63-40(16-12-13-24-60-45(71)28-44(58(83)84)86-25-23-39-34(7)69-85-35(39)8)54(79)64-41(21-22-48(74)75)55(80)65-43(27-36-17-19-38(70)20-18-36)53(78)62-30-46(72)67-49(32(3)4)51(59)76/h9-11,14-15,17-20,31-33,40-44,49-50,70H,12-13,16,21-30H2,1-8H3,(H2,59,76)(H,60,71)(H,61,77)(H,62,78)(H,63,81)(H,64,79)(H,65,80)(H,66,82)(H,67,72)(H,68,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44-,49-,50-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255690
PNG
(CHEMBL4068735)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(SCCc1cnccn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H80N12O15S/c1-32(2)26-41(67-56(82)49(34(5)6)69-46(73)30-62-51(77)36-12-8-7-9-13-36)55(81)64-39(14-10-11-22-61-44(71)28-43(57(83)84)85-25-21-37-29-59-23-24-60-37)53(79)65-40(19-20-47(74)75)54(80)66-42(27-35-15-17-38(70)18-16-35)52(78)63-31-45(72)68-48(33(3)4)50(58)76/h7-9,12-13,15-18,23-24,29,32-34,39-43,48-49,70H,10-11,14,19-22,25-28,30-31H2,1-6H3,(H2,58,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t39-,40-,41-,42-,43?,48-,49-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255730
PNG
(CHEMBL4065067)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(SCCc1ccccn1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H81N11O15S/c1-33(2)28-42(67-57(82)50(35(5)6)69-47(73)31-62-52(77)37-14-8-7-9-15-37)56(81)64-40(17-11-13-26-61-45(71)30-44(58(83)84)85-27-24-38-16-10-12-25-60-38)54(79)65-41(22-23-48(74)75)55(80)66-43(29-36-18-20-39(70)21-19-36)53(78)63-32-46(72)68-49(34(3)4)51(59)76/h7-10,12,14-16,18-21,25,33-35,40-44,49-50,70H,11,13,17,22-24,26-32H2,1-6H3,(H2,59,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44?,49-,50-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255692
PNG
(CHEMBL4100475)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](SCCc1c(C)noc1C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H83N11O16S/c1-31(2)26-42(66-57(82)50(33(5)6)68-47(73)29-61-52(77)37-14-10-9-11-15-37)56(81)63-40(16-12-13-24-60-45(71)28-44(58(83)84)86-25-23-39-34(7)69-85-35(39)8)54(79)64-41(21-22-48(74)75)55(80)65-43(27-36-17-19-38(70)20-18-36)53(78)62-30-46(72)67-49(32(3)4)51(59)76/h9-11,14-15,17-20,31-33,40-44,49-50,70H,12-13,16,21-30H2,1-8H3,(H2,59,76)(H,60,71)(H,61,77)(H,62,78)(H,63,81)(H,64,79)(H,65,80)(H,66,82)(H,67,72)(H,68,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44+,49-,50-/m0/s1
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3.5n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255710
PNG
(CHEMBL4091258)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1cccc2ccccc12)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C62H82N10O15S/c1-35(2)29-46(70-61(85)54(37(5)6)72-51(76)32-65-56(80)40-16-8-7-9-17-40)60(84)67-44(21-12-13-28-64-49(74)31-48(62(86)87)88-34-41-19-14-18-39-15-10-11-20-43(39)41)58(82)68-45(26-27-52(77)78)59(83)69-47(30-38-22-24-42(73)25-23-38)57(81)66-33-50(75)71-53(36(3)4)55(63)79/h7-11,14-20,22-25,35-37,44-48,53-54,73H,12-13,21,26-34H2,1-6H3,(H2,63,79)(H,64,74)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,83)(H,70,85)(H,71,75)(H,72,76)(H,77,78)(H,86,87)/t44-,45-,46-,47-,48-,53-,54-/m0/s1
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7n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255714
PNG
(CHEMBL4064460)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C78H116N14O21S2/c1-46(2)39-56(88-76(107)69(48(5)6)91-65(98)43-83-63(96)28-27-62(95)81-32-14-34-112-36-38-113-37-35-111-33-13-31-80-61(94)19-10-9-18-59-70-58(45-114-59)89-78(110)92-70)75(106)85-54(17-11-12-30-82-64(97)42-60(77(108)109)115-53-25-22-50-15-7-8-16-51(50)41-53)73(104)86-55(26-29-67(100)101)74(105)87-57(40-49-20-23-52(93)24-21-49)72(103)84-44-66(99)90-68(47(3)4)71(79)102/h7-8,15-16,20-25,41,46-48,54-60,68-70,93H,9-14,17-19,26-40,42-45H2,1-6H3,(H2,79,102)(H,80,94)(H,81,95)(H,82,97)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,88,107)(H,90,99)(H,91,98)(H,100,101)(H,108,109)(H2,89,92,110)/t54-,55-,56-,57-,58-,59-,60-,68-,69-,70-/m0/s1
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14n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255740
PNG
(CHEMBL4100351)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc(Cl)c(Cl)c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H76Cl2N10O15S/c1-30(2)24-41(67-56(82)49(32(5)6)69-46(73)28-62-51(77)34-12-8-7-9-13-34)55(81)64-39(14-10-11-23-61-44(71)27-43(57(83)84)85-36-19-20-37(58)38(59)26-36)53(79)65-40(21-22-47(74)75)54(80)66-42(25-33-15-17-35(70)18-16-33)52(78)63-29-45(72)68-48(31(3)4)50(60)76/h7-9,12-13,15-20,26,30-32,39-43,48-49,70H,10-11,14,21-25,27-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t39-,40-,41-,42-,43-,48-,49-/m0/s1
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23n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255726
PNG
(CHEMBL4085990)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C78H116N14O21S2/c1-46(2)39-56(88-76(107)69(48(5)6)91-65(98)43-83-63(96)28-27-62(95)81-32-14-34-112-36-38-113-37-35-111-33-13-31-80-61(94)19-10-9-18-59-70-58(45-114-59)89-78(110)92-70)75(106)85-54(17-11-12-30-82-64(97)42-60(77(108)109)115-53-25-22-50-15-7-8-16-51(50)41-53)73(104)86-55(26-29-67(100)101)74(105)87-57(40-49-20-23-52(93)24-21-49)72(103)84-44-66(99)90-68(47(3)4)71(79)102/h7-8,15-16,20-25,41,46-48,54-60,68-70,93H,9-14,17-19,26-40,42-45H2,1-6H3,(H2,79,102)(H,80,94)(H,81,95)(H,82,97)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,88,107)(H,90,99)(H,91,98)(H,100,101)(H,108,109)(H2,89,92,110)/t54-,55-,56-,57-,58-,59-,60?,68-,69-,70-/m0/s1
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83n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Competitive inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255644
PNG
(CHEMBL4079212)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H78N10O15S/c1-32(2)27-41(65-56(80)49(34(5)6)67-46(71)30-60-51(75)36-15-9-7-10-16-36)55(79)62-39(19-13-14-26-59-44(69)29-43(57(81)82)83-38-17-11-8-12-18-38)53(77)63-40(24-25-47(72)73)54(78)64-42(28-35-20-22-37(68)23-21-35)52(76)61-31-45(70)66-48(33(3)4)50(58)74/h7-12,15-18,20-23,32-34,39-43,48-49,68H,13-14,19,24-31H2,1-6H3,(H2,58,74)(H,59,69)(H,60,75)(H,61,76)(H,62,79)(H,63,77)(H,64,78)(H,65,80)(H,66,70)(H,67,71)(H,72,73)(H,81,82)/t39-,40-,41-,42-,43-,48-,49-/m0/s1
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PubMed
135n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255725
PNG
(CHEMBL4068365)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(Cc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H80N10O15/c1-33(2)27-43(66-57(81)50(35(5)6)68-47(72)31-61-52(76)38-17-11-8-12-18-38)56(80)63-41(19-13-14-26-60-45(70)30-39(58(82)83)28-36-15-9-7-10-16-36)54(78)64-42(24-25-48(73)74)55(79)65-44(29-37-20-22-40(69)23-21-37)53(77)62-32-46(71)67-49(34(3)4)51(59)75/h7-12,15-18,20-23,33-35,39,41-44,49-50,69H,13-14,19,24-32H2,1-6H3,(H2,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,80)(H,64,78)(H,65,79)(H,66,81)(H,67,71)(H,68,72)(H,73,74)(H,82,83)/t39?,41-,42-,43-,44-,49-,50-/m0/s1
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263n/an/an/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)
BDBM50416487
PNG
(CHEMBL1236196 | TETRABUTYLAMMONIUM)
Show SMILES CCCC[N+](CCCC)(CCCC)CCCC
Show InChI InChI=1S/C16H36N/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4/h5-16H2,1-4H3/q+1
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PubMed
1.20E+4n/an/an/an/an/an/an/an/a



Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (electrogenicity) in Xenopus laevis oocytes


Am J Physiol Renal Physiol 281: 454-68 (2001)


Article DOI: 10.1152/ajprenal.2001.281.3.F454
BindingDB Entry DOI: 10.7270/Q2BR8TF3
More data for this
Ligand-Target Pair
Solute carrier family 22 member 2


(RAT)
BDBM50367247
PNG
(QUININE | Quinamm | Quinsan | cid_3034034)
Show SMILES COc1ccc2nccc([C@@H](O)[C@@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |THB:20:19:12.13:16.15,10:12:19.18:16.15|
Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1
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5.50E+4n/an/an/an/an/an/an/an/a



Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake in Xenopus laevis oocytes


Am J Physiol Renal Physiol 281: 454-68 (2001)


Article DOI: 10.1152/ajprenal.2001.281.3.F454
BindingDB Entry DOI: 10.7270/Q2BR8TF3
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255710
PNG
(CHEMBL4091258)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1cccc2ccccc12)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C62H82N10O15S/c1-35(2)29-46(70-61(85)54(37(5)6)72-51(76)32-65-56(80)40-16-8-7-9-17-40)60(84)67-44(21-12-13-28-64-49(74)31-48(62(86)87)88-34-41-19-14-18-39-15-10-11-20-43(39)41)58(82)68-45(26-27-52(77)78)59(83)69-47(30-38-22-24-42(73)25-23-38)57(81)66-33-50(75)71-53(36(3)4)55(63)79/h7-11,14-20,22-25,35-37,44-48,53-54,73H,12-13,21,26-34H2,1-6H3,(H2,63,79)(H,64,74)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,83)(H,70,85)(H,71,75)(H,72,76)(H,77,78)(H,86,87)/t44-,45-,46-,47-,48-,53-,54-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255714
PNG
(CHEMBL4064460)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C78H116N14O21S2/c1-46(2)39-56(88-76(107)69(48(5)6)91-65(98)43-83-63(96)28-27-62(95)81-32-14-34-112-36-38-113-37-35-111-33-13-31-80-61(94)19-10-9-18-59-70-58(45-114-59)89-78(110)92-70)75(106)85-54(17-11-12-30-82-64(97)42-60(77(108)109)115-53-25-22-50-15-7-8-16-51(50)41-53)73(104)86-55(26-29-67(100)101)74(105)87-57(40-49-20-23-52(93)24-21-49)72(103)84-44-66(99)90-68(47(3)4)71(79)102/h7-8,15-16,20-25,41,46-48,54-60,68-70,93H,9-14,17-19,26-40,42-45H2,1-6H3,(H2,79,102)(H,80,94)(H,81,95)(H,82,97)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,88,107)(H,90,99)(H,91,98)(H,100,101)(H,108,109)(H2,89,92,110)/t54-,55-,56-,57-,58-,59-,60-,68-,69-,70-/m0/s1
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n/an/a 19n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255700
PNG
(CHEMBL4091790)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc2ccccc2c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C61H80N10O15S/c1-34(2)28-45(69-60(84)53(36(5)6)71-50(75)32-64-55(79)39-15-8-7-9-16-39)59(83)66-43(18-12-13-27-63-48(73)31-47(61(85)86)87-42-24-21-38-14-10-11-17-40(38)30-42)57(81)67-44(25-26-51(76)77)58(82)68-46(29-37-19-22-41(72)23-20-37)56(80)65-33-49(74)70-52(35(3)4)54(62)78/h7-11,14-17,19-24,30,34-36,43-47,52-53,72H,12-13,18,25-29,31-33H2,1-6H3,(H2,62,78)(H,63,73)(H,64,79)(H,65,80)(H,66,83)(H,67,81)(H,68,82)(H,69,84)(H,70,74)(H,71,75)(H,76,77)(H,85,86)/t43-,44-,45-,46-,47-,52-,53-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255635
PNG
(CHEMBL4065953)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc(C)c(C)c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C59H82N10O15S/c1-32(2)26-43(67-58(82)51(34(5)6)69-48(73)30-62-53(77)38-14-10-9-11-15-38)57(81)64-41(16-12-13-25-61-46(71)29-45(59(83)84)85-40-22-17-35(7)36(8)27-40)55(79)65-42(23-24-49(74)75)56(80)66-44(28-37-18-20-39(70)21-19-37)54(78)63-31-47(72)68-50(33(3)4)52(60)76/h9-11,14-15,17-22,27,32-34,41-45,50-51,70H,12-13,16,23-26,28-31H2,1-8H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t41-,42-,43-,44-,45-,50-,51-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255740
PNG
(CHEMBL4100351)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc(Cl)c(Cl)c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H76Cl2N10O15S/c1-30(2)24-41(67-56(82)49(32(5)6)69-46(73)28-62-51(77)34-12-8-7-9-13-34)55(81)64-39(14-10-11-23-61-44(71)27-43(57(83)84)85-36-19-20-37(58)38(59)26-36)53(79)65-40(21-22-47(74)75)54(80)66-42(25-33-15-17-35(70)18-16-33)52(78)63-29-45(72)68-48(31(3)4)50(60)76/h7-9,12-13,15-20,26,30-32,39-43,48-49,70H,10-11,14,21-25,27-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t39-,40-,41-,42-,43-,48-,49-/m0/s1
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n/an/a 46n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255711
PNG
(CHEMBL4083471)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@](C)(Sc1cccc2ccccc12)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C62H82N10O15S/c1-35(2)30-45(70-60(85)53(37(5)6)72-50(76)33-65-55(80)40-17-9-8-10-18-40)59(84)67-43(21-13-14-29-64-48(74)32-62(7,61(86)87)88-47-22-15-19-39-16-11-12-20-42(39)47)57(82)68-44(27-28-51(77)78)58(83)69-46(31-38-23-25-41(73)26-24-38)56(81)66-34-49(75)71-52(36(3)4)54(63)79/h8-12,15-20,22-26,35-37,43-46,52-53,73H,13-14,21,27-34H2,1-7H3,(H2,63,79)(H,64,74)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,83)(H,70,85)(H,71,75)(H,72,76)(H,77,78)(H,86,87)/t43-,44-,45-,46-,52-,53-,62-/m0/s1
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n/an/a 59n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255743
PNG
(CHEMBL4084850)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1cc(Cl)cc(Cl)c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H76Cl2N10O15S/c1-30(2)22-41(67-56(82)49(32(5)6)69-46(73)28-62-51(77)34-12-8-7-9-13-34)55(81)64-39(14-10-11-21-61-44(71)27-43(57(83)84)85-38-25-35(58)24-36(59)26-38)53(79)65-40(19-20-47(74)75)54(80)66-42(23-33-15-17-37(70)18-16-33)52(78)63-29-45(72)68-48(31(3)4)50(60)76/h7-9,12-13,15-18,24-26,30-32,39-43,48-49,70H,10-11,14,19-23,27-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t39-,40-,41-,42-,43-,48-,49-/m0/s1
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n/an/a 86n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255774
PNG
(CHEMBL4101463)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@](C)(Sc1cccc2ccccc12)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C62H82N10O15S/c1-35(2)30-45(70-60(85)53(37(5)6)72-50(76)33-65-55(80)40-17-9-8-10-18-40)59(84)67-43(21-13-14-29-64-48(74)32-62(7,61(86)87)88-47-22-15-19-39-16-11-12-20-42(39)47)57(82)68-44(27-28-51(77)78)58(83)69-46(31-38-23-25-41(73)26-24-38)56(81)66-34-49(75)71-52(36(3)4)54(63)79/h8-12,15-20,22-26,35-37,43-46,52-53,73H,13-14,21,27-34H2,1-7H3,(H2,63,79)(H,64,74)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,83)(H,70,85)(H,71,75)(H,72,76)(H,77,78)(H,86,87)/t43-,44-,45-,46-,52-,53-,62+/m0/s1
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n/an/a 90n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255726
PNG
(CHEMBL4085990)
Show SMILES [H][C@]12CS[C@@H](CCCCC(=O)NCCCOCCOCCOCCCNC(=O)CCC(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)CC(Sc3ccc4ccccc4c3)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)[C@@]1([H])NC(=O)N2 |r|
Show InChI InChI=1S/C78H116N14O21S2/c1-46(2)39-56(88-76(107)69(48(5)6)91-65(98)43-83-63(96)28-27-62(95)81-32-14-34-112-36-38-113-37-35-111-33-13-31-80-61(94)19-10-9-18-59-70-58(45-114-59)89-78(110)92-70)75(106)85-54(17-11-12-30-82-64(97)42-60(77(108)109)115-53-25-22-50-15-7-8-16-51(50)41-53)73(104)86-55(26-29-67(100)101)74(105)87-57(40-49-20-23-52(93)24-21-49)72(103)84-44-66(99)90-68(47(3)4)71(79)102/h7-8,15-16,20-25,41,46-48,54-60,68-70,93H,9-14,17-19,26-40,42-45H2,1-6H3,(H2,79,102)(H,80,94)(H,81,95)(H,82,97)(H,83,96)(H,84,103)(H,85,106)(H,86,104)(H,87,105)(H,88,107)(H,90,99)(H,91,98)(H,100,101)(H,108,109)(H2,89,92,110)/t54-,55-,56-,57-,58-,59-,60?,68-,69-,70-/m0/s1
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n/an/a 91n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant N-terminal Strep2-tagged SIRT5 expressed in Escherichia coli BL21 (DE3) using Abz-GVLK(glutaryl)AY(NO2)GV-NH2 as subs...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255701
PNG
(CHEMBL4079616)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1cccc2ccccc12)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C61H80N10O15S/c1-34(2)29-44(69-60(84)53(36(5)6)71-50(75)32-64-55(79)39-16-8-7-9-17-39)59(83)66-42(20-12-13-28-63-48(73)31-47(61(85)86)87-46-21-14-18-38-15-10-11-19-41(38)46)57(81)67-43(26-27-51(76)77)58(82)68-45(30-37-22-24-40(72)25-23-37)56(80)65-33-49(74)70-52(35(3)4)54(62)78/h7-11,14-19,21-25,34-36,42-45,47,52-53,72H,12-13,20,26-33H2,1-6H3,(H2,62,78)(H,63,73)(H,64,79)(H,65,80)(H,66,83)(H,67,81)(H,68,82)(H,69,84)(H,70,74)(H,71,75)(H,76,77)(H,85,86)/t42-,43-,44-,45-,47-,52-,53-/m0/s1
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n/an/a 95n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50041802
PNG
(1,8-dihydroxy-9(10H)-anthracenone | 1,8-dihydroxy-...)
Show SMILES Oc1cccc2Cc3cccc(O)c3C(=O)c12
Show InChI InChI=1S/C14H10O3/c15-10-5-1-3-8-7-9-4-2-6-11(16)13(9)14(17)12(8)10/h1-6,15-16H,7H2
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n/an/a 100n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of SIRT5 (unknown origin) using GGQSLK[succ]FGKG as substrate after 30 mins


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255741
PNG
(CHEMBL4078223)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc(Cl)cc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H77ClN10O15S/c1-31(2)26-41(66-56(81)49(33(5)6)68-46(72)29-61-51(76)35-12-8-7-9-13-35)55(80)63-39(14-10-11-25-60-44(70)28-43(57(82)83)84-38-21-17-36(58)18-22-38)53(78)64-40(23-24-47(73)74)54(79)65-42(27-34-15-19-37(69)20-16-34)52(77)62-30-45(71)67-48(32(3)4)50(59)75/h7-9,12-13,15-22,31-33,39-43,48-49,69H,10-11,14,23-30H2,1-6H3,(H2,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,80)(H,64,78)(H,65,79)(H,66,81)(H,67,71)(H,68,72)(H,73,74)(H,82,83)/t39-,40-,41-,42-,43-,48-,49-/m0/s1
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n/an/a 102n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255639
PNG
(CHEMBL4097208)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1cccc(Cl)c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H77ClN10O15S/c1-31(2)25-41(66-56(81)49(33(5)6)68-46(72)29-61-51(76)35-13-8-7-9-14-35)55(80)63-39(17-10-11-24-60-44(70)28-43(57(82)83)84-38-16-12-15-36(58)27-38)53(78)64-40(22-23-47(73)74)54(79)65-42(26-34-18-20-37(69)21-19-34)52(77)62-30-45(71)67-48(32(3)4)50(59)75/h7-9,12-16,18-21,27,31-33,39-43,48-49,69H,10-11,17,22-26,28-30H2,1-6H3,(H2,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,80)(H,64,78)(H,65,79)(H,66,81)(H,67,71)(H,68,72)(H,73,74)(H,82,83)/t39-,40-,41-,42-,43-,48-,49-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255659
PNG
(CHEMBL4092610)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc(Cl)cc1Cl)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H76Cl2N10O15S/c1-30(2)24-40(67-56(82)49(32(5)6)69-46(73)28-62-51(77)34-12-8-7-9-13-34)55(81)64-38(14-10-11-23-61-44(71)27-43(57(83)84)85-42-21-17-35(58)26-37(42)59)53(79)65-39(20-22-47(74)75)54(80)66-41(25-33-15-18-36(70)19-16-33)52(78)63-29-45(72)68-48(31(3)4)50(60)76/h7-9,12-13,15-19,21,26,30-32,38-41,43,48-49,70H,10-11,14,20,22-25,27-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t38-,39-,40-,41-,43-,48-,49-/m0/s1
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n/an/a 177n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255703
PNG
(CHEMBL4063400)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](SCc1cccc2ccccc12)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C62H82N10O15S/c1-35(2)29-46(70-61(85)54(37(5)6)72-51(76)32-65-56(80)40-16-8-7-9-17-40)60(84)67-44(21-12-13-28-64-49(74)31-48(62(86)87)88-34-41-19-14-18-39-15-10-11-20-43(39)41)58(82)68-45(26-27-52(77)78)59(83)69-47(30-38-22-24-42(73)25-23-38)57(81)66-33-50(75)71-53(36(3)4)55(63)79/h7-11,14-20,22-25,35-37,44-48,53-54,73H,12-13,21,26-34H2,1-6H3,(H2,63,79)(H,64,74)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,83)(H,70,85)(H,71,75)(H,72,76)(H,77,78)(H,86,87)/t44-,45-,46-,47-,48+,53-,54-/m0/s1
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n/an/a 207n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255644
PNG
(CHEMBL4079212)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H78N10O15S/c1-32(2)27-41(65-56(80)49(34(5)6)67-46(71)30-60-51(75)36-15-9-7-10-16-36)55(79)62-39(19-13-14-26-59-44(69)29-43(57(81)82)83-38-17-11-8-12-18-38)53(77)63-40(24-25-47(72)73)54(78)64-42(28-35-20-22-37(68)23-21-35)52(76)61-31-45(70)66-48(33(3)4)50(58)74/h7-12,15-18,20-23,32-34,39-43,48-49,68H,13-14,19,24-31H2,1-6H3,(H2,58,74)(H,59,69)(H,60,75)(H,61,76)(H,62,79)(H,63,77)(H,64,78)(H,65,80)(H,66,70)(H,67,71)(H,72,73)(H,81,82)/t39-,40-,41-,42-,43-,48-,49-/m0/s1
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n/an/a 274n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255651
PNG
(CHEMBL4093875)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1cc(Cl)ccc1Cl)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H76Cl2N10O15S/c1-30(2)24-40(67-56(82)49(32(5)6)69-46(73)28-62-51(77)34-12-8-7-9-13-34)55(81)64-38(14-10-11-23-61-44(71)27-43(57(83)84)85-42-26-35(58)17-20-37(42)59)53(79)65-39(21-22-47(74)75)54(80)66-41(25-33-15-18-36(70)19-16-33)52(78)63-29-45(72)68-48(31(3)4)50(60)76/h7-9,12-13,15-20,26,30-32,38-41,43,48-49,70H,10-11,14,21-25,27-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t38-,39-,40-,41-,43-,48-,49-/m0/s1
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n/an/a 295n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255665
PNG
(CHEMBL4073959)
Show SMILES COc1ccc(S[C@@H](CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)c2ccccc2)C(C)C)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O)C(O)=O)cc1OC |r|
Show InChI InChI=1S/C59H82N10O17S/c1-32(2)26-41(67-58(82)51(34(5)6)69-48(73)30-62-53(77)36-14-10-9-11-15-36)57(81)64-39(16-12-13-25-61-46(71)29-45(59(83)84)87-38-21-23-43(85-7)44(28-38)86-8)55(79)65-40(22-24-49(74)75)56(80)66-42(27-35-17-19-37(70)20-18-35)54(78)63-31-47(72)68-50(33(3)4)52(60)76/h9-11,14-15,17-21,23,28,32-34,39-42,45,50-51,70H,12-13,16,22,24-27,29-31H2,1-8H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t39-,40-,41-,42-,45-,50-,51-/m0/s1
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n/an/a 326n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255668
PNG
(CHEMBL4086401)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H80N10O15S/c1-33(2)27-42(66-57(81)50(35(5)6)68-47(72)30-61-52(76)38-17-11-8-12-18-38)56(80)63-40(19-13-14-26-60-45(70)29-44(58(82)83)84-32-37-15-9-7-10-16-37)54(78)64-41(24-25-48(73)74)55(79)65-43(28-36-20-22-39(69)23-21-36)53(77)62-31-46(71)67-49(34(3)4)51(59)75/h7-12,15-18,20-23,33-35,40-44,49-50,69H,13-14,19,24-32H2,1-6H3,(H2,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,80)(H,64,78)(H,65,79)(H,66,81)(H,67,71)(H,68,72)(H,73,74)(H,82,83)/t40-,41-,42-,43-,44-,49-,50-/m0/s1
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n/an/a 336n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255716
PNG
(CHEMBL4080031)
Show SMILES CC(C)C[C@H](NC(C)=O)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccc2ccccc2c1)C(O)=O)C(=O)N[C@@H](C)C(N)=O |r|
Show InChI InChI=1S/C31H43N5O7S/c1-18(2)15-25(35-20(4)37)30(41)36-24(29(40)34-19(3)28(32)39)11-7-8-14-33-27(38)17-26(31(42)43)44-23-13-12-21-9-5-6-10-22(21)16-23/h5-6,9-10,12-13,16,18-19,24-26H,7-8,11,14-15,17H2,1-4H3,(H2,32,39)(H,33,38)(H,34,40)(H,35,37)(H,36,41)(H,42,43)/t19-,24-,25-,26-/m0/s1
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n/an/a 350n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255750
PNG
(CHEMBL4104295)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](SCc1ccccc1Cl)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H79ClN10O15S/c1-32(2)26-42(67-57(82)50(34(5)6)69-47(73)29-62-52(77)36-14-8-7-9-15-36)56(81)64-40(18-12-13-25-61-45(71)28-44(58(83)84)85-31-37-16-10-11-17-39(37)59)54(79)65-41(23-24-48(74)75)55(80)66-43(27-35-19-21-38(70)22-20-35)53(78)63-30-46(72)68-49(33(3)4)51(60)76/h7-11,14-17,19-22,32-34,40-44,49-50,70H,12-13,18,23-31H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44+,49-,50-/m0/s1
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n/an/a 352n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255684
PNG
(CHEMBL4100041)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](SCc1ccc(Cl)cc1Cl)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H78Cl2N10O15S/c1-31(2)24-42(68-57(83)50(33(5)6)70-47(74)28-63-52(78)35-12-8-7-9-13-35)56(82)65-40(14-10-11-23-62-45(72)27-44(58(84)85)86-30-36-17-18-37(59)26-39(36)60)54(80)66-41(21-22-48(75)76)55(81)67-43(25-34-15-19-38(71)20-16-34)53(79)64-29-46(73)69-49(32(3)4)51(61)77/h7-9,12-13,15-20,26,31-33,40-44,49-50,71H,10-11,14,21-25,27-30H2,1-6H3,(H2,61,77)(H,62,72)(H,63,78)(H,64,79)(H,65,82)(H,66,80)(H,67,81)(H,68,83)(H,69,73)(H,70,74)(H,75,76)(H,84,85)/t40-,41-,42-,43-,44+,49-,50-/m0/s1
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n/an/a 432n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
Solute carrier family 22 member 1


(RAT)
BDBM50420192
PNG
(CHEMBL2074851)
Show SMILES CC[n+]1c(CC2C=C(C)N=C(N2C)c2ccccc2)ccc2ccccc12 |c:9,t:6|
Show InChI InChI=1S/C24H26N3/c1-4-27-21(15-14-19-10-8-9-13-23(19)27)17-22-16-18(2)25-24(26(22)3)20-11-6-5-7-12-20/h5-16,22H,4,17H2,1-3H3/q+1
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n/an/a 510n/an/an/an/an/an/a



Institute of Anatomy of the Bayerische Julius-Maximilians-Universit£t

Curated by ChEMBL


Assay Description
TP_TRANSPORTER: inhibition of TEA uptake (TEA: 10 uM) in Xenopus laevis oocytes


Am J Physiol Renal Physiol 281: 454-68 (2001)


Article DOI: 10.1152/ajprenal.2001.281.3.F454
BindingDB Entry DOI: 10.7270/Q2BR8TF3
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255669
PNG
(CHEMBL4094165)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1ccccc1Cl)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H79ClN10O15S/c1-32(2)26-42(67-57(82)50(34(5)6)69-47(73)29-62-52(77)36-14-8-7-9-15-36)56(81)64-40(18-12-13-25-61-45(71)28-44(58(83)84)85-31-37-16-10-11-17-39(37)59)54(79)65-41(23-24-48(74)75)55(80)66-43(27-35-19-21-38(70)22-20-35)53(78)63-30-46(72)68-49(33(3)4)51(60)76/h7-11,14-17,19-22,32-34,40-44,49-50,70H,12-13,18,23-31H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44-,49-,50-/m0/s1
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n/an/a 533n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255685
PNG
(CHEMBL4083597)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1ccc(Cl)cc1Cl)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H78Cl2N10O15S/c1-31(2)24-42(68-57(83)50(33(5)6)70-47(74)28-63-52(78)35-12-8-7-9-13-35)56(82)65-40(14-10-11-23-62-45(72)27-44(58(84)85)86-30-36-17-18-37(59)26-39(36)60)54(80)66-41(21-22-48(75)76)55(81)67-43(25-34-15-19-38(71)20-16-34)53(79)64-29-46(73)69-49(32(3)4)51(61)77/h7-9,12-13,15-20,26,31-33,40-44,49-50,71H,10-11,14,21-25,27-30H2,1-6H3,(H2,61,77)(H,62,72)(H,63,78)(H,64,79)(H,65,82)(H,66,80)(H,67,81)(H,68,83)(H,69,73)(H,70,74)(H,75,76)(H,84,85)/t40-,41-,42-,43-,44-,49-,50-/m0/s1
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n/an/a 543n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255663
PNG
(CHEMBL4074580)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1c(Cl)cccc1Cl)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H76Cl2N10O15S/c1-30(2)25-40(67-56(82)48(32(5)6)69-45(73)28-62-51(77)34-13-8-7-9-14-34)55(81)64-38(17-10-11-24-61-43(71)27-42(57(83)84)85-49-36(58)15-12-16-37(49)59)53(79)65-39(22-23-46(74)75)54(80)66-41(26-33-18-20-35(70)21-19-33)52(78)63-29-44(72)68-47(31(3)4)50(60)76/h7-9,12-16,18-21,30-32,38-42,47-48,70H,10-11,17,22-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t38-,39-,40-,41-,42-,47-,48-/m0/s1
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n/an/a 577n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255771
PNG
(CHEMBL4092289)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](SCCc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C59H82N10O15S/c1-34(2)29-43(67-58(82)51(36(5)6)69-48(73)32-62-53(77)39-17-11-8-12-18-39)57(81)64-41(19-13-14-27-61-46(71)31-45(59(83)84)85-28-26-37-15-9-7-10-16-37)55(79)65-42(24-25-49(74)75)56(80)66-44(30-38-20-22-40(70)23-21-38)54(78)63-33-47(72)68-50(35(3)4)52(60)76/h7-12,15-18,20-23,34-36,41-45,50-51,70H,13-14,19,24-33H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t41-,42-,43-,44-,45+,50-,51-/m0/s1
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n/an/a 592n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255687
PNG
(CHEMBL4105234)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](SCc1c(C)cc(C)cc1C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C61H86N10O15S/c1-33(2)25-45(69-60(84)53(35(5)6)71-50(75)30-64-55(79)40-15-11-10-12-16-40)59(83)66-43(17-13-14-24-63-48(73)29-47(61(85)86)87-32-42-37(8)26-36(7)27-38(42)9)57(81)67-44(22-23-51(76)77)58(82)68-46(28-39-18-20-41(72)21-19-39)56(80)65-31-49(74)70-52(34(3)4)54(62)78/h10-12,15-16,18-21,26-27,33-35,43-47,52-53,72H,13-14,17,22-25,28-32H2,1-9H3,(H2,62,78)(H,63,73)(H,64,79)(H,65,80)(H,66,83)(H,67,81)(H,68,82)(H,69,84)(H,70,74)(H,71,75)(H,76,77)(H,85,86)/t43-,44-,45-,46-,47+,52-,53-/m0/s1
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n/an/a 631n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255667
PNG
(CHEMBL4096566)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](SCc1ccccc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H80N10O15S/c1-33(2)27-42(66-57(81)50(35(5)6)68-47(72)30-61-52(76)38-17-11-8-12-18-38)56(80)63-40(19-13-14-26-60-45(70)29-44(58(82)83)84-32-37-15-9-7-10-16-37)54(78)64-41(24-25-48(73)74)55(79)65-43(28-36-20-22-39(69)23-21-36)53(77)62-31-46(71)67-49(34(3)4)51(59)75/h7-12,15-18,20-23,33-35,40-44,49-50,69H,13-14,19,24-32H2,1-6H3,(H2,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,80)(H,64,78)(H,65,79)(H,66,81)(H,67,71)(H,68,72)(H,73,74)(H,82,83)/t40-,41-,42-,43-,44+,49-,50-/m0/s1
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n/an/a 644n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255660
PNG
(CHEMBL4071831)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](Sc1cc(Cl)cc(Cl)c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H76Cl2N10O15S/c1-30(2)22-41(67-56(82)49(32(5)6)69-46(73)28-62-51(77)34-12-8-7-9-13-34)55(81)64-39(14-10-11-21-61-44(71)27-43(57(83)84)85-38-25-35(58)24-36(59)26-38)53(79)65-40(19-20-47(74)75)54(80)66-42(23-33-15-17-37(70)18-16-33)52(78)63-29-45(72)68-48(31(3)4)50(60)76/h7-9,12-13,15-18,24-26,30-32,39-43,48-49,70H,10-11,14,19-23,27-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t39-,40-,41-,42-,43+,48-,49-/m0/s1
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n/an/a 647n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255636
PNG
(CHEMBL4067303)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1cccc(Cl)c1Cl)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H76Cl2N10O15S/c1-30(2)25-39(67-56(82)49(32(5)6)69-45(73)28-62-51(77)34-13-8-7-9-14-34)55(81)64-37(16-10-11-24-61-43(71)27-42(57(83)84)85-41-17-12-15-36(58)47(41)59)53(79)65-38(22-23-46(74)75)54(80)66-40(26-33-18-20-35(70)21-19-33)52(78)63-29-44(72)68-48(31(3)4)50(60)76/h7-9,12-15,17-21,30-32,37-40,42,48-49,70H,10-11,16,22-29H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t37-,38-,39-,40-,42-,48-,49-/m0/s1
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n/an/a 715n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255686
PNG
(CHEMBL4094852)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1ccc(Cl)c(Cl)c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H78Cl2N10O15S/c1-31(2)24-42(68-57(83)50(33(5)6)70-47(74)28-63-52(78)36-12-8-7-9-13-36)56(82)65-40(14-10-11-23-62-45(72)27-44(58(84)85)86-30-35-17-20-38(59)39(60)25-35)54(80)66-41(21-22-48(75)76)55(81)67-43(26-34-15-18-37(71)19-16-34)53(79)64-29-46(73)69-49(32(3)4)51(61)77/h7-9,12-13,15-20,25,31-33,40-44,49-50,71H,10-11,14,21-24,26-30H2,1-6H3,(H2,61,77)(H,62,72)(H,63,78)(H,64,79)(H,65,82)(H,66,80)(H,67,81)(H,68,83)(H,69,73)(H,70,74)(H,75,76)(H,84,85)/t40-,41-,42-,43-,44-,49-,50-/m0/s1
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n/an/a 740n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255770
PNG
(CHEMBL4073591)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@@H](SCc1ccc(Cl)c(Cl)c1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H78Cl2N10O15S/c1-31(2)24-42(68-57(83)50(33(5)6)70-47(74)28-63-52(78)36-12-8-7-9-13-36)56(82)65-40(14-10-11-23-62-45(72)27-44(58(84)85)86-30-35-17-20-38(59)39(60)25-35)54(80)66-41(21-22-48(75)76)55(81)67-43(26-34-15-18-37(71)19-16-34)53(79)64-29-46(73)69-49(32(3)4)51(61)77/h7-9,12-13,15-20,25,31-33,40-44,49-50,71H,10-11,14,21-24,26-30H2,1-6H3,(H2,61,77)(H,62,72)(H,63,78)(H,64,79)(H,65,82)(H,66,80)(H,67,81)(H,68,83)(H,69,73)(H,70,74)(H,75,76)(H,84,85)/t40-,41-,42-,43-,44+,49-,50-/m0/s1
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n/an/a 780n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255752
PNG
(CHEMBL4105624)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1ccc(cc1)C(C)(C)C)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C62H88N10O15S/c1-35(2)29-45(70-60(85)53(37(5)6)72-50(76)32-65-55(80)40-15-11-10-12-16-40)59(84)67-43(17-13-14-28-64-48(74)31-47(61(86)87)88-34-39-18-22-41(23-19-39)62(7,8)9)57(82)68-44(26-27-51(77)78)58(83)69-46(30-38-20-24-42(73)25-21-38)56(81)66-33-49(75)71-52(36(3)4)54(63)79/h10-12,15-16,18-25,35-37,43-47,52-53,73H,13-14,17,26-34H2,1-9H3,(H2,63,79)(H,64,74)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,83)(H,70,85)(H,71,75)(H,72,76)(H,77,78)(H,86,87)/t43-,44-,45-,46-,47-,52-,53-/m0/s1
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n/an/a 793n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255679
PNG
(CHEMBL4082324)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1ccc(cc1)C(F)(F)F)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C59H79F3N10O15S/c1-32(2)26-42(70-57(85)50(34(5)6)72-47(76)29-65-52(80)37-12-8-7-9-13-37)56(84)67-40(14-10-11-25-64-45(74)28-44(58(86)87)88-31-36-15-19-38(20-16-36)59(60,61)62)54(82)68-41(23-24-48(77)78)55(83)69-43(27-35-17-21-39(73)22-18-35)53(81)66-30-46(75)71-49(33(3)4)51(63)79/h7-9,12-13,15-22,32-34,40-44,49-50,73H,10-11,14,23-31H2,1-6H3,(H2,63,79)(H,64,74)(H,65,80)(H,66,81)(H,67,84)(H,68,82)(H,69,83)(H,70,85)(H,71,75)(H,72,76)(H,77,78)(H,86,87)/t40-,41-,42-,43-,44-,49-,50-/m0/s1
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n/an/a 804n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255742
PNG
(CHEMBL4104916)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](Sc1ccccc1Cl)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C57H77ClN10O15S/c1-31(2)26-40(66-56(81)49(33(5)6)68-46(72)29-61-51(76)35-14-8-7-9-15-35)55(80)63-38(17-12-13-25-60-44(70)28-43(57(82)83)84-42-18-11-10-16-37(42)58)53(78)64-39(23-24-47(73)74)54(79)65-41(27-34-19-21-36(69)22-20-34)52(77)62-30-45(71)67-48(32(3)4)50(59)75/h7-11,14-16,18-22,31-33,38-41,43,48-49,69H,12-13,17,23-30H2,1-6H3,(H2,59,75)(H,60,70)(H,61,76)(H,62,77)(H,63,80)(H,64,78)(H,65,79)(H,66,81)(H,67,71)(H,68,72)(H,73,74)(H,82,83)/t38-,39-,40-,41-,43-,48-,49-/m0/s1
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n/an/a 857n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
NAD-dependent protein deacylase sirtuin-5, mitochondrial


(Homo sapiens (Human))
BDBM50255672
PNG
(CHEMBL4068050)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)c1ccccc1)C(C)C)C(=O)N[C@@H](CCCCNC(=O)C[C@H](SCc1ccc(Cl)cc1)C(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](C(C)C)C(N)=O |r|
Show InChI InChI=1S/C58H79ClN10O15S/c1-32(2)26-42(67-57(82)50(34(5)6)69-47(73)29-62-52(77)37-12-8-7-9-13-37)56(81)64-40(14-10-11-25-61-45(71)28-44(58(83)84)85-31-36-15-19-38(59)20-16-36)54(79)65-41(23-24-48(74)75)55(80)66-43(27-35-17-21-39(70)22-18-35)53(78)63-30-46(72)68-49(33(3)4)51(60)76/h7-9,12-13,15-22,32-34,40-44,49-50,70H,10-11,14,23-31H2,1-6H3,(H2,60,76)(H,61,71)(H,62,77)(H,63,78)(H,64,81)(H,65,79)(H,66,80)(H,67,82)(H,68,72)(H,69,73)(H,74,75)(H,83,84)/t40-,41-,42-,43-,44-,49-,50-/m0/s1
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n/an/a 893n/an/an/an/an/an/a



Department of Enzymology, Institute of Biochemistry and Biotechnology , Martin-Luther-University Halle-Wittenberg , 06120 Halle/Saale , Germany.

Curated by ChEMBL


Assay Description
Inhibition of recombinant human N-terminal His-tagged SIRT5 (34 to 269 residues) expressed in Escherichia coli Transetta(DE3) cells using Benzyl Lys(...


J Med Chem 61: 2460-2471 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01648
BindingDB Entry DOI: 10.7270/Q2WW7M4J
More data for this
Ligand-Target Pair
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