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Compile Data Set for Download or QSAR

Found 11 hits of ki for UniProtKB: P0C1U8   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435121
PNG
(CHEMBL2391716)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CCC(O)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
Show InChI InChI=1S/C36H46N3O9P/c1-25(2)23-29(37-33(42)30(24-26-15-9-6-10-16-26)38-35(44)46-36(3,4)5)34(43)39-31(21-22-32(40)41)49(45,47-27-17-11-7-12-18-27)48-28-19-13-8-14-20-28/h6-20,25,29-31H,21-24H2,1-5H3,(H,37,42)(H,38,44)(H,39,43)(H,40,41)/t29-,30-,31?/m0/s1
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6.20E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435123
PNG
(CHEMBL2391713)
Show SMILES CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC(O)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
Show InChI InChI=1S/C27H37N2O8P/c1-19(2)18-22(28-26(33)35-27(3,4)5)25(32)29-23(16-17-24(30)31)38(34,36-20-12-8-6-9-13-20)37-21-14-10-7-11-15-21/h6-15,19,22-23H,16-18H2,1-5H3,(H,28,33)(H,29,32)(H,30,31)/t22-,23?/m0/s1
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7.80E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435124
PNG
(CHEMBL2390964)
Show SMILES OC(=O)CCC(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C24H24NO7P/c26-23(27)17-16-22(25-24(28)30-18-19-10-4-1-5-11-19)33(29,31-20-12-6-2-7-13-20)32-21-14-8-3-9-15-21/h1-15,22H,16-18H2,(H,25,28)(H,26,27)
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8.10E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435117
PNG
(CHEMBL2391722)
Show SMILES CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CCC(O)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
Show InChI InChI=1S/C35H44N3O9P/c1-24(2)31(38-32(41)28(23-25-15-9-6-10-16-25)36-34(43)45-35(3,4)5)33(42)37-29(21-22-30(39)40)48(44,46-26-17-11-7-12-18-26)47-27-19-13-8-14-20-27/h6-20,24,28-29,31H,21-23H2,1-5H3,(H,36,43)(H,37,42)(H,38,41)(H,39,40)/t28-,29?,31-/m0/s1
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8.15E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435119
PNG
(CHEMBL2391719)
Show SMILES C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NC(CCC(O)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
Show InChI InChI=1S/C33H40N3O9P/c1-23(34-31(40)27(22-24-14-8-5-9-15-24)35-32(41)43-33(2,3)4)30(39)36-28(20-21-29(37)38)46(42,44-25-16-10-6-11-17-25)45-26-18-12-7-13-19-26/h5-19,23,27-28H,20-22H2,1-4H3,(H,34,40)(H,35,41)(H,36,39)(H,37,38)/t23-,27-,28?/m0/s1
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9.40E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435120
PNG
(CHEMBL2391718)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CCC(O)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
Show InChI InChI=1S/C32H44N3O11P/c1-21(2)20-25(33-29(40)24(16-18-27(36)37)34-31(42)44-32(3,4)5)30(41)35-26(17-19-28(38)39)47(43,45-22-12-8-6-9-13-22)46-23-14-10-7-11-15-23/h6-15,21,24-26H,16-20H2,1-5H3,(H,33,40)(H,34,42)(H,35,41)(H,36,37)(H,38,39)/t24-,25-,26?/m0/s1
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9.50E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435116
PNG
(CHEMBL2391724)
Show SMILES CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CCC(O)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
Show InChI InChI=1S/C31H42N3O11P/c1-20(2)27(34-28(39)23(16-18-25(35)36)32-30(41)43-31(3,4)5)29(40)33-24(17-19-26(37)38)46(42,44-21-12-8-6-9-13-21)45-22-14-10-7-11-15-22/h6-15,20,23-24,27H,16-19H2,1-5H3,(H,32,41)(H,33,40)(H,34,39)(H,35,36)(H,37,38)/t23-,24?,27-/m0/s1
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9.95E+3n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435125
PNG
(CHEMBL2391726)
Show SMILES CC(=O)NC(CCC(O)=O)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C18H20NO6P/c1-14(20)19-17(12-13-18(21)22)26(23,24-15-8-4-2-5-9-15)25-16-10-6-3-7-11-16/h2-11,17H,12-13H2,1H3,(H,19,20)(H,21,22)
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1.11E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435118
PNG
(CHEMBL2391721)
Show SMILES C[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)OC(C)(C)C)C(=O)NC(CCC(O)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
Show InChI InChI=1S/C29H38N3O11P/c1-19(30-27(38)22(15-17-24(33)34)31-28(39)41-29(2,3)4)26(37)32-23(16-18-25(35)36)44(40,42-20-11-7-5-8-12-20)43-21-13-9-6-10-14-21/h5-14,19,22-23H,15-18H2,1-4H3,(H,30,38)(H,31,39)(H,32,37)(H,33,34)(H,35,36)/t19-,22-,23?/m0/s1
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1.29E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50435122
PNG
(CHEMBL2391714)
Show SMILES CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC(CCC(O)=O)P(=O)(Oc1ccccc1)Oc1ccccc1 |r|
Show InChI InChI=1S/C26H35N2O8P/c1-18(2)23(28-25(32)34-26(3,4)5)24(31)27-21(16-17-22(29)30)37(33,35-19-12-8-6-9-13-19)36-20-14-10-7-11-15-20/h6-15,18,21,23H,16-17H2,1-5H3,(H,27,31)(H,28,32)(H,29,30)/t21?,23-/m0/s1
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2.33E+4n/an/an/an/an/an/an/an/a



Wroclaw University of Technology

Curated by ChEMBL


Assay Description
Inhibition of Staphylococcus aureus endoproteinase GluC using Ac-Phe-Leu-Glu-ACC as substrate after 30 mins


Bioorg Med Chem Lett 23: 1412-5 (2013)


Article DOI: 10.1016/j.bmcl.2012.12.074
BindingDB Entry DOI: 10.7270/Q2SX6FKB
More data for this
Ligand-Target Pair
Glutamyl endopeptidase


(Staphylococcus aureus)
BDBM50412617
PNG
(CHEMBL501766)
Show SMILES CC(C)(C)OC(=O)N[C@@H](CS(=O)(=O)NC(=O)c1ccc(cc1)C1(N=N1)C(F)(F)F)C(=O)NCCOCCOCCNC(=O)CCCC[C@@H]1SCC2NC(=O)NC12 |r,c:24|
Show InChI InChI=1S/C33H47F3N8O10S2/c1-31(2,3)54-30(49)40-23(19-56(50,51)42-27(46)20-8-10-21(11-9-20)32(43-44-32)33(34,35)36)28(47)38-13-15-53-17-16-52-14-12-37-25(45)7-5-4-6-24-26-22(18-55-24)39-29(48)41-26/h8-11,22-24,26H,4-7,12-19H2,1-3H3,(H,37,45)(H,38,47)(H,40,49)(H,42,46)(H2,39,41,48)/t22?,23-,24-,26?/m0/s1
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1.62E+5n/an/an/an/an/an/an/an/a



University of Toyama

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus V8 glutamyl endopeptidase


Bioorg Med Chem Lett 19: 80-2 (2008)


Article DOI: 10.1016/j.bmcl.2008.11.013
BindingDB Entry DOI: 10.7270/Q2XP7658
More data for this
Ligand-Target Pair