Found 229 hits with Last Name = 'schutkowski' and Initial = 'm' Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50184825
(Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bth-D-Thr(PO3H...)Show SMILES C[C@@H](OP(O)(O)=O)[C@@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C63H86N13O16PS2/c1-34(68-58(83)44(69-37(4)77)18-11-13-27-66-52(79)22-10-9-21-50-54-47(33-95-50)73-63(88)75-54)56(81)67-35(2)57(82)71-46(31-41-32-94-49-20-8-7-17-42(41)49)60(85)74-53(36(3)92-93(89,90)91)62(87)76-28-14-12-19-48(76)61(86)72-45(59(84)70-43(55(65)80)25-26-51(64)78)30-38-23-24-39-15-5-6-16-40(39)29-38/h5-8,15-17,20,23-24,29,32,34-36,43-48,50,53-54H,9-14,18-19,21-22,25-28,30-31,33H2,1-4H3,(H2,64,78)(H2,65,80)(H,66,79)(H,67,81)(H,68,83)(H,69,77)(H,70,84)(H,71,82)(H,72,86)(H,74,85)(H2,73,75,88)(H2,89,90,91)/t34-,35-,36+,43-,44-,45-,46-,47-,48-,50-,53+,54-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay |
J Med Chem 49: 2147-50 (2006)
Article DOI: 10.1021/jm060036n
BindingDB Entry DOI: 10.7270/Q2S46RJP |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255692
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50255691
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50255693
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50255730
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50184823
(Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bip-Thr(PO3H2)...)Show SMILES C[C@H](NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H]([C@H](C)OP(O)(O)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C66H88N13O16PS/c1-37(71-61(86)48(72-40(4)80)19-12-13-31-69-55(82)22-11-10-21-53-57-51(36-97-53)76-66(91)78-57)59(84)70-38(2)60(85)74-49(34-41-23-26-45(27-24-41)43-15-6-5-7-16-43)63(88)77-56(39(3)95-96(92,93)94)65(90)79-32-14-20-52(79)64(89)75-50(62(87)73-47(58(68)83)29-30-54(67)81)35-42-25-28-44-17-8-9-18-46(44)33-42/h5-9,15-18,23-28,33,37-39,47-53,56-57H,10-14,19-22,29-32,34-36H2,1-4H3,(H2,67,81)(H2,68,83)(H,69,82)(H,70,84)(H,71,86)(H,72,80)(H,73,87)(H,74,85)(H,75,89)(H,77,88)(H2,76,78,91)(H2,92,93,94)/t37-,38-,39-,47-,48-,49-,50-,51-,52-,53-,56-,57-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay |
J Med Chem 49: 2147-50 (2006)
Article DOI: 10.1021/jm060036n
BindingDB Entry DOI: 10.7270/Q2S46RJP |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602203
(CHEMBL5171086)Show SMILES CCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 5.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255710
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50184841
(Ac-Phe-D-Thr(PO3H2)-Pip-Nal-Gln-NH2 | CHEMBL436759)Show SMILES C[C@H](OP(O)(O)=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C39H50N7O11P/c1-23(57-58(54,55)56)34(45-37(51)30(42-24(2)47)21-25-10-4-3-5-11-25)39(53)46-19-9-8-14-32(46)38(52)44-31(36(50)43-29(35(41)49)17-18-33(40)48)22-26-15-16-27-12-6-7-13-28(27)20-26/h3-7,10-13,15-16,20,23,29-32,34H,8-9,14,17-19,21-22H2,1-2H3,(H2,40,48)(H2,41,49)(H,42,47)(H,43,50)(H,44,52)(H,45,51)(H2,54,55,56)/t23-,29-,30-,31-,32+,34+/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 18.3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay |
J Med Chem 49: 2147-50 (2006)
Article DOI: 10.1021/jm060036n
BindingDB Entry DOI: 10.7270/Q2S46RJP |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255740
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602192
(CHEMBL5174998) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 31 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255726
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 135 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50184830
(Ac-Lys(N-epsilon-biotinoyl)-Ala-Ala-Bth-Thr(PO3H2)...)Show SMILES C[C@H](OP(O)(O)=O)[C@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12)NC(C)=O)C(=O)N1CCCC[C@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C63H86N13O16PS2/c1-34(68-58(83)44(69-37(4)77)18-11-13-27-66-52(79)22-10-9-21-50-54-47(33-95-50)73-63(88)75-54)56(81)67-35(2)57(82)71-46(31-41-32-94-49-20-8-7-17-42(41)49)60(85)74-53(36(3)92-93(89,90)91)62(87)76-28-14-12-19-48(76)61(86)72-45(59(84)70-43(55(65)80)25-26-51(64)78)30-38-23-24-39-15-5-6-16-40(39)29-38/h5-8,15-17,20,23-24,29,32,34-36,43-48,50,53-54H,9-14,18-19,21-22,25-28,30-31,33H2,1-4H3,(H2,64,78)(H2,65,80)(H,66,79)(H,67,81)(H,68,83)(H,69,77)(H,70,84)(H,71,82)(H,72,86)(H,74,85)(H2,73,75,88)(H2,89,90,91)/t34-,35-,36-,43-,44-,45-,46-,47-,48-,50-,53-,54-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 183 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay |
J Med Chem 49: 2147-50 (2006)
Article DOI: 10.1021/jm060036n
BindingDB Entry DOI: 10.7270/Q2S46RJP |
More data for this
Ligand-Target Pair | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50184834
(Ac-Bth-Thr(PO3H2)-Pip-Nal-Gln-NH2 | CHEMBL380685)Show SMILES C[C@@H](OP(O)(O)=O)[C@H](NC(=O)[C@H](Cc1csc2ccccc12)NC(C)=O)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C41H50N7O11PS/c1-23(59-60(56,57)58)36(47-39(53)32(44-24(2)49)21-28-22-61-34-13-6-5-11-29(28)34)41(55)48-18-8-7-12-33(48)40(54)46-31(38(52)45-30(37(43)51)16-17-35(42)50)20-25-14-15-26-9-3-4-10-27(26)19-25/h3-6,9-11,13-15,19,22-23,30-33,36H,7-8,12,16-18,20-21H2,1-2H3,(H2,42,50)(H2,43,51)(H,44,49)(H,45,52)(H,46,54)(H,47,53)(H2,56,57,58)/t23-,30+,31+,32+,33-,36+/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 258 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay |
J Med Chem 49: 2147-50 (2006)
Article DOI: 10.1021/jm060036n
BindingDB Entry DOI: 10.7270/Q2S46RJP |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255725
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 263 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |
Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1
(Homo sapiens (Human)) | BDBM50184838
(Ac-Phe-Thr(PO3H2)-Pip-Nal-Gln-NH2 | CHEMBL383244)Show SMILES C[C@H](OP(O)(O)=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N1CCCC[C@@H]1C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CCC(N)=O)C(N)=O Show InChI InChI=1S/C39H50N7O11P/c1-23(57-58(54,55)56)34(45-37(51)30(42-24(2)47)21-25-10-4-3-5-11-25)39(53)46-19-9-8-14-32(46)38(52)44-31(36(50)43-29(35(41)49)17-18-33(40)48)22-26-15-16-27-12-6-7-13-28(27)20-26/h3-7,10-13,15-16,20,23,29-32,34H,8-9,14,17-19,21-22H2,1-2H3,(H2,40,48)(H2,41,49)(H,42,47)(H,43,50)(H,44,52)(H,45,51)(H2,54,55,56)/t23-,29-,30-,31-,32+,34-/m0/s1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 547 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Max Planck Research Unit for Enzymology of Protein Folding
Curated by ChEMBL
| Assay Description
Inhibition of human Pin1 PPIase Activity by protease free PPIase assay |
J Med Chem 49: 2147-50 (2006)
Article DOI: 10.1021/jm060036n
BindingDB Entry DOI: 10.7270/Q2S46RJP |
More data for this
Ligand-Target Pair | |
Solute carrier family 15 member 1
(Homo sapiens (Human)) | BDBM50137011
(1-(2-ammoniopropanethioyl)pyrrolidine-2-carboxylat...)Show InChI InChI=1S/C8H14N2O2S/c1-5(9)7(13)10-4-2-3-6(10)8(11)12/h5-6H,2-4,9H2,1H3,(H,11,12) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 3.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Martin-Luther-University Halle-Wittenberg
Curated by ChEMBL
| Assay Description
TP_TRANSPORTER: inhibition of Gly-Sar uptake, 96% trans conformation in Caco-2 cells |
J Biol Chem 273: 3861-4 (1998)
Article DOI: 10.1074/jbc.273.7.3861
BindingDB Entry DOI: 10.7270/Q2WD43FD |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602204
(CHEMBL5195676)Show SMILES CCCCCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602203
(CHEMBL5171086)Show SMILES CCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 8.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602206
(CHEMBL5199993)Show SMILES CCCCCCNNC(=O)c1cnc(nc1)N1CCN(CCc2c[nH]c3ccccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602205
(CHEMBL5172376)Show SMILES CCCCCCNNC(=O)c1cnc(nc1)N1CCN(Cc2cn(C)c3ccccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255710
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602201
(CHEMBL5198176) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602202
(CHEMBL5186290)Show SMILES CCCCCCNNC(=O)c1cnc(NCc2ccc(CNC(C)=O)cc2)nc1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255714
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602194
(CHEMBL5188860) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602207
(CHEMBL5198617)Show SMILES CCCCCCNNC(=O)c1cnc(nc1)N1CCN(CCc2cn(C)c3ccccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602200
(CHEMBL5202801) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50602203
(CHEMBL5171086)Show SMILES CCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255700
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602192
(CHEMBL5174998) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50602211
(CHEMBL5171474) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 11
(Homo sapiens (Human)) | BDBM50602204
(CHEMBL5195676)Show SMILES CCCCCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 | NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50602196
(CHEMBL5171850) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255635
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602195
(CHEMBL5206011) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255740
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 46 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50602212
(CHEMBL5175631) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255711
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50602210
(CHEMBL5178042) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM468609
(US10807944, Compound RLS3-43 | US10870618, Compoun...)Show InChI InChI=1S/C17H20N2O/c1-2-3-13-18-19-17(20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,18H,2-3,13H2,1H3,(H,19,20) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 8
(Homo sapiens (Human)) | BDBM50602199
(CHEMBL5199264) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM50602203
(CHEMBL5171086)Show SMILES CCCNNC(=O)c1cnc(nc1)N1CCN(Cc2c[nH]c3ccccc23)CC1 | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
Histone deacetylase 3
(Homo sapiens (Human)) | BDBM50602209
(CHEMBL5173372) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 81 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
NAD-dependent protein deacylase sirtuin-5, mitochondrial
(Homo sapiens (Human)) | BDBM50255743
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 86 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Histone deacetylase 1
(Homo sapiens (Human)) | BDBM468609
(US10807944, Compound RLS3-43 | US10870618, Compoun...)Show InChI InChI=1S/C17H20N2O/c1-2-3-13-18-19-17(20)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,18H,2-3,13H2,1H3,(H,19,20) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c01132
BindingDB Entry DOI: 10.7270/Q2959NMG |
More data for this
Ligand-Target Pair | |
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