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Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent Clp protease proteolytic subunit'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50535811
PNG
(CHEMBL4549588)
Show SMILES C[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](COC2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C=C\C=C\C(=O)NC1=C(O)CCC1=O
Show InChI InChI=1S/C47H57N7O11/c1-29-25-36-47(64)65-28-34(45(62)53-24-16-19-35(53)46(63)52(4)31(3)42(59)48-30(2)44(61)54(36)27-29)50-43(60)33(26-32-17-12-11-13-18-32)49-39(57)20-14-9-7-5-6-8-10-15-21-40(58)51-41-37(55)22-23-38(41)56/h5-15,17-18,20-21,29-31,33-36,55H,16,19,22-28H2,1-4H3,(H,48,59)(H,49,57)(H,50,60)(H,51,58)/b6-5+,9-7+,10-8+,20-14+,21-15+/t29-,30+,31+,33+,34+,35+,36+/m1/s1
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n/an/an/an/a 100n/an/an/an/a



University of Oklahoma COBRE in Structural Biology

Curated by ChEMBL


Assay Description
Activation of Escherichia coli BLR (DE3) ClpP using Abz-DFAPKMALVPYNO2 as substrate assessed as degradation of substrate peptide preincubated for 15 ...


J Nat Prod 79: 1193-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01091
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50535811
PNG
(CHEMBL4549588)
Show SMILES C[C@@H]1C[C@@H]2N(C1)C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](COC2=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)\C=C\C=C\C=C\C=C\C=C\C(=O)NC1=C(O)CCC1=O
Show InChI InChI=1S/C47H57N7O11/c1-29-25-36-47(64)65-28-34(45(62)53-24-16-19-35(53)46(63)52(4)31(3)42(59)48-30(2)44(61)54(36)27-29)50-43(60)33(26-32-17-12-11-13-18-32)49-39(57)20-14-9-7-5-6-8-10-15-21-40(58)51-41-37(55)22-23-38(41)56/h5-15,17-18,20-21,29-31,33-36,55H,16,19,22-28H2,1-4H3,(H,48,59)(H,49,57)(H,50,60)(H,51,58)/b6-5+,9-7+,10-8+,20-14+,21-15+/t29-,30+,31+,33+,34+,35+,36+/m1/s1
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n/an/an/an/a 1.20E+3n/an/an/an/a



University of Oklahoma COBRE in Structural Biology

Curated by ChEMBL


Assay Description
Activation of Escherichia coli BLR (DE3) ClpP using FITC-beta casein as substrate assessed as degradation of substrate peptide preincubated for 15 mi...


J Nat Prod 79: 1193-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01091
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527098
PNG
(CHEMBL4446834)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C23H26BCl2N3O4/c1-13(2)9-21(24(32)33)29-23(31)20(10-14-12-27-19-6-4-3-5-16(14)19)28-22(30)17-11-15(25)7-8-18(17)26/h3-8,11-13,20-21,27,32-33H,9-10H2,1-2H3,(H,28,30)(H,29,31)/t20-,21-/m0/s1
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n/an/an/an/a 1.27E+3n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) assessed as shifting o...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527098
PNG
(CHEMBL4446834)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C23H26BCl2N3O4/c1-13(2)9-21(24(32)33)29-23(31)20(10-14-12-27-19-6-4-3-5-16(14)19)28-22(30)17-11-15(25)7-8-18(17)26/h3-8,11-13,20-21,27,32-33H,9-10H2,1-2H3,(H,28,30)(H,29,31)/t20-,21-/m0/s1
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n/an/an/an/a 1.40E+3n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocyte...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527101
PNG
(CHEMBL4540126)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)c1ccc(CC(C)C)cc1)B(O)O
Show InChI InChI=1S/C29H40BN3O4/c1-18(2)14-21-10-12-22(13-11-21)20(5)28(34)32-26(29(35)33-27(30(36)37)15-19(3)4)16-23-17-31-25-9-7-6-8-24(23)25/h6-13,17-20,26-27,31,36-37H,14-16H2,1-5H3,(H,32,34)(H,33,35)/t20?,26-,27-/m0/s1
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n/an/an/an/a 2.60E+3n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocyte...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527102
PNG
(CHEMBL4536802)
Show SMILES COc1ccc(cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)B(O)O
Show InChI InChI=1S/C22H29BN2O5/c1-15(2)13-20(23(28)29)25-22(27)19(14-16-7-5-4-6-8-16)24-21(26)17-9-11-18(30-3)12-10-17/h4-12,15,19-20,28-29H,13-14H2,1-3H3,(H,24,26)(H,25,27)/t19-,20-/m0/s1
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n/an/an/an/a 3.30E+3n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocyte...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50360279
PNG
(CHEMBL1933113)
Show SMILES C=CCCCCCCC[C@@H]1[C@@H](CCc2ccccc2)OC1=O
Show InChI InChI=1S/C20H28O2/c1-2-3-4-5-6-7-11-14-18-19(22-20(18)21)16-15-17-12-9-8-10-13-17/h2,8-10,12-13,18-19H,1,3-7,11,14-16H2/t18-,19-/m1/s1
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n/an/an/an/a 3.40E+3n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of recombinant Staphylococcus aureus NCTC 8325 peptidase activity of clpP expressed in Escherichia coli BL21 after 10 mins using SLY-AMC a...


Bioorg Med Chem 20: 583-91 (2012)


Article DOI: 10.1016/j.bmc.2011.07.047
BindingDB Entry DOI: 10.7270/Q26W9BHQ
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50398609
PNG
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
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n/an/an/an/a 3.60E+3n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocyte...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50360280
PNG
(CHEMBL1933114)
Show SMILES C=CCCCCCCC[C@@H]1[C@@H](CCc2cccnc2)OC1=O
Show InChI InChI=1S/C19H27NO2/c1-2-3-4-5-6-7-8-11-17-18(22-19(17)21)13-12-16-10-9-14-20-15-16/h2,9-10,14-15,17-18H,1,3-8,11-13H2/t17-,18-/m1/s1
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n/an/an/an/a 4.50E+3n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of recombinant Staphylococcus aureus NCTC 8325 peptidase activity of clpP expressed in Escherichia coli BL21 after 10 mins using SLY-AMC a...


Bioorg Med Chem 20: 583-91 (2012)


Article DOI: 10.1016/j.bmc.2011.07.047
BindingDB Entry DOI: 10.7270/Q26W9BHQ
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50360281
PNG
(CHEMBL1933116)
Show SMILES CN(C)c1ccc(cc1)C(=O)NCCCCC[C@H]1OC(=O)[C@@H]1CCCCCCCC=C
Show InChI InChI=1S/C26H40N2O3/c1-4-5-6-7-8-9-11-14-23-24(31-26(23)30)15-12-10-13-20-27-25(29)21-16-18-22(19-17-21)28(2)3/h4,16-19,23-24H,1,5-15,20H2,2-3H3,(H,27,29)/t23-,24-/m1/s1
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n/an/an/an/a 5.40E+3n/an/an/an/a



Technische Universit£t M£nchen

Curated by ChEMBL


Assay Description
Inhibition of recombinant Staphylococcus aureus NCTC 8325 peptidase activity of clpP expressed in Escherichia coli BL21 after 10 mins using SLY-AMC a...


Bioorg Med Chem 20: 583-91 (2012)


Article DOI: 10.1016/j.bmc.2011.07.047
BindingDB Entry DOI: 10.7270/Q26W9BHQ
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527099
PNG
(CHEMBL4438765)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(C)c1ccc(CC(C)C)cc1)B(O)O
Show InChI InChI=1S/C27H39BN2O5/c1-17(2)14-20-6-10-22(11-7-20)19(5)26(32)29-24(16-21-8-12-23(31)13-9-21)27(33)30-25(28(34)35)15-18(3)4/h6-13,17-19,24-25,31,34-35H,14-16H2,1-5H3,(H,29,32)(H,30,33)/t19?,24-,25-/m0/s1
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n/an/an/an/a 9.60E+3n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocyte...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527100
PNG
(CHEMBL4457363)
Show SMILES COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)c(C)c1
Show InChI InChI=1S/C23H31BN2O5/c1-15(2)12-21(24(29)30)26-23(28)20(14-17-8-6-5-7-9-17)25-22(27)19-11-10-18(31-4)13-16(19)3/h5-11,13,15,20-21,29-30H,12,14H2,1-4H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1
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n/an/an/an/a 1.48E+4n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocyte...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50462621
PNG
(CHEMBL1813256 | MLN-9708)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O
Show InChI InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1
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n/an/an/an/a 1.99E+4n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) assessed as shifting o...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50535810
PNG
(CHEMBL4593796)
Show SMILES CCOC(=O)[C@H]1[C@@H](C[C@@](O)(CC1=O)c1ccc(Br)cc1)C=C(Cl)Cl
Show InChI InChI=1S/C17H17BrCl2O4/c1-2-24-16(22)15-10(7-14(19)20)8-17(23,9-13(15)21)11-3-5-12(18)6-4-11/h3-7,10,15,23H,2,8-9H2,1H3/t10-,15+,17-/m1/s1
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n/an/an/an/a 2.22E+4n/an/an/an/a



University of Oklahoma COBRE in Structural Biology

Curated by ChEMBL


Assay Description
Activation of Escherichia coli BLR (DE3) ClpP using FITC-beta casein as substrate assessed as degradation of substrate peptide preincubated for 15 mi...


J Nat Prod 79: 1193-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01091
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/an/an/a 2.35E+4n/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of ClpP in methicillin-resistant Staphylococcus aureus ATCC 33591 assessed as reduction in bacteria-induced hemolysis of sheep erythrocyte...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50535810
PNG
(CHEMBL4593796)
Show SMILES CCOC(=O)[C@H]1[C@@H](C[C@@](O)(CC1=O)c1ccc(Br)cc1)C=C(Cl)Cl
Show InChI InChI=1S/C17H17BrCl2O4/c1-2-24-16(22)15-10(7-14(19)20)8-17(23,9-13(15)21)11-3-5-12(18)6-4-11/h3-7,10,15,23H,2,8-9H2,1H3/t10-,15+,17-/m1/s1
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n/an/an/an/a 2.54E+4n/an/an/an/a



University of Oklahoma COBRE in Structural Biology

Curated by ChEMBL


Assay Description
Activation of Escherichia coli BLR (DE3) ClpP using Abz-DFAPKMALVPYNO2 as substrate assessed as degradation of substrate peptide preincubated for 15 ...


J Nat Prod 79: 1193-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01091
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50535809
PNG
(SCLEROTIAMIDE | Sclerotiamide)
Show SMILES CC1(C)[C@@H]2C[C@]34CCCN3C(=O)[C@]2(NC4=O)[C@@H](O)[C@@]11C(=O)Nc2c1ccc1OC(C)(C)C=Cc21
Show InChI InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,18-,24-,25-,26+/m0/s1
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n/an/an/an/a 3.96E+4n/an/an/an/a



University of Oklahoma COBRE in Structural Biology

Curated by ChEMBL


Assay Description
Activation of Escherichia coli BLR (DE3) ClpP using Abz-DFAPKMALVPYNO2 as substrate assessed as degradation of substrate peptide preincubated for 15 ...


J Nat Prod 79: 1193-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01091
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50535809
PNG
(SCLEROTIAMIDE | Sclerotiamide)
Show SMILES CC1(C)[C@@H]2C[C@]34CCCN3C(=O)[C@]2(NC4=O)[C@@H](O)[C@@]11C(=O)Nc2c1ccc1OC(C)(C)C=Cc21
Show InChI InChI=1S/C26H29N3O5/c1-22(2)10-8-13-15(34-22)7-6-14-17(13)27-20(32)25(14)18(30)26-16(23(25,3)4)12-24(19(31)28-26)9-5-11-29(24)21(26)33/h6-8,10,16,18,30H,5,9,11-12H2,1-4H3,(H,27,32)(H,28,31)/t16-,18-,24-,25-,26+/m0/s1
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n/an/an/an/a 8.75E+4n/an/an/an/a



University of Oklahoma COBRE in Structural Biology

Curated by ChEMBL


Assay Description
Activation of Escherichia coli BLR (DE3) ClpP using FITC-beta casein as substrate assessed as degradation of substrate peptide preincubated for 15 mi...


J Nat Prod 79: 1193-7 (2016)


Article DOI: 10.1021/acs.jnatprod.5b01091
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518616
PNG
(CHEMBL4483092)
Show SMILES CN(C)c1ccc(cc1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C29H29N2O5P/c1-31(2)25-20-18-24(19-21-25)28(30-29(32)34-22-23-12-6-3-7-13-23)37(33,35-26-14-8-4-9-15-26)36-27-16-10-5-11-17-27/h3-21,28H,22H2,1-2H3,(H,30,32)
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n/an/a 600n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518617
PNG
(CHEMBL3770879)
Show SMILES Nc1ccc(cc1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C27H25N2O5P/c28-23-18-16-22(17-19-23)26(29-27(30)32-20-21-10-4-1-5-11-21)35(31,33-24-12-6-2-7-13-24)34-25-14-8-3-9-15-25/h1-19,26H,20,28H2,(H,29,30)
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n/an/a 3.98E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518618
PNG
(CHEMBL4469279)
Show SMILES C[C@H](NC(=O)[C@H](CO)NC(=O)c1cccs1)C(=O)NC(Cc1ccc(NC(N)=N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C32H35N6O7PS/c1-21(35-30(41)26(20-39)37-31(42)27-13-8-18-47-27)29(40)38-28(19-22-14-16-23(17-15-22)36-32(33)34)46(43,44-24-9-4-2-5-10-24)45-25-11-6-3-7-12-25/h2-18,21,26,28,39H,19-20H2,1H3,(H,35,41)(H,37,42)(H,38,40)(H4,33,34,36)/t21-,26-,28?/m0/s1
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n/an/a 4.95E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518619
PNG
(CHEMBL4575669)
Show SMILES FC(F)(F)C(=O)Nc1ccc(cc1)C(NC(=O)OCc1ccc2OCOc2c1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C30H24F3N2O8P/c31-30(32,33)28(36)34-22-14-12-21(13-15-22)27(35-29(37)39-18-20-11-16-25-26(17-20)41-19-40-25)44(38,42-23-7-3-1-4-8-23)43-24-9-5-2-6-10-24/h1-17,27H,18-19H2,(H,34,36)(H,35,37)
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n/an/a 8.20E+3n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518620
PNG
(CHEMBL4442349)
Show SMILES NC(=N)N1CC(C1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C25H27N4O5P/c26-24(27)29-16-20(17-29)23(28-25(30)32-18-19-10-4-1-5-11-19)35(31,33-21-12-6-2-7-13-21)34-22-14-8-3-9-15-22/h1-15,20,23H,16-18H2,(H3,26,27)(H,28,30)
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n/an/a 7.13E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518621
PNG
(CHEMBL4561263)
Show SMILES COc1cccc(n1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C27H25N2O6P/c1-32-25-19-11-18-24(28-25)26(29-27(30)33-20-21-12-5-2-6-13-21)36(31,34-22-14-7-3-8-15-22)35-23-16-9-4-10-17-23/h2-19,26H,20H2,1H3,(H,29,30)
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n/an/a 3.80E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518622
PNG
(CHEMBL4585066)
Show SMILES COC(=O)NC(c1ccc(cc1)C(N)=N)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C22H22N3O5P/c1-28-22(26)25-21(17-14-12-16(13-15-17)20(23)24)31(27,29-18-8-4-2-5-9-18)30-19-10-6-3-7-11-19/h2-15,21H,1H3,(H3,23,24)(H,25,26)
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n/an/a 4.81E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518623
PNG
(CHEMBL4446383)
Show SMILES FC(F)(F)c1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
Show InChI InChI=1S/C29H25F3NO5P/c30-29(31,32)24-18-16-22(17-19-24)20-27(33-28(34)36-21-23-10-4-1-5-11-23)39(35,37-25-12-6-2-7-13-25)38-26-14-8-3-9-15-26/h1-19,27H,20-21H2,(H,33,34)
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n/an/a 1.42E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518624
PNG
(CHEMBL4472140)
Show SMILES [O-][N+](=O)c1ccc(CCC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1
Show InChI InChI=1S/C29H27N2O7P/c32-29(36-22-24-10-4-1-5-11-24)30-28(21-18-23-16-19-25(20-17-23)31(33)34)39(35,37-26-12-6-2-7-13-26)38-27-14-8-3-9-15-27/h1-17,19-20,28H,18,21-22H2,(H,30,32)
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n/an/a 1.31E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518625
PNG
(CHEMBL4549411)
Show SMILES Clc1ccc2[nH]cc(C(NC(=O)OCc3ccccc3)P(=O)(Oc3ccccc3)Oc3ccccc3)c2c1
Show InChI InChI=1S/C29H24ClN2O5P/c30-22-16-17-27-25(18-22)26(19-31-27)28(32-29(33)35-20-21-10-4-1-5-11-21)38(34,36-23-12-6-2-7-13-23)37-24-14-8-3-9-15-24/h1-19,28,31H,20H2,(H,32,33)
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n/an/a 1.01E+5n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527099
PNG
(CHEMBL4438765)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(C)c1ccc(CC(C)C)cc1)B(O)O
Show InChI InChI=1S/C27H39BN2O5/c1-17(2)14-20-6-10-22(11-7-20)19(5)26(32)29-24(16-21-8-12-23(31)13-9-21)27(33)30-25(28(34)35)15-18(3)4/h6-13,17-19,24-25,31,34-35H,14-16H2,1-5H3,(H,29,32)(H,30,33)/t19?,24-,25-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) pre-incubated for 10 mins be...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527100
PNG
(CHEMBL4457363)
Show SMILES COc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)B(O)O)c(C)c1
Show InChI InChI=1S/C23H31BN2O5/c1-15(2)12-21(24(29)30)26-23(28)20(14-17-8-6-5-7-9-17)25-22(27)19-11-10-18(31-4)13-16(19)3/h5-11,13,15,20-21,29-30H,12,14H2,1-4H3,(H,25,27)(H,26,28)/t20-,21-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) pre-incubated for 10 mins be...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527098
PNG
(CHEMBL4446834)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C23H26BCl2N3O4/c1-13(2)9-21(24(32)33)29-23(31)20(10-14-12-27-19-6-4-3-5-16(14)19)28-22(30)17-11-15(25)7-8-18(17)26/h3-8,11-13,20-21,27,32-33H,9-10H2,1-2H3,(H,28,30)(H,29,31)/t20-,21-/m0/s1
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n/an/a 900n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) pre-incubated for 10 mins be...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50462621
PNG
(CHEMBL1813256 | MLN-9708)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B1OC(=O)CC(CC(O)=O)(O1)C(O)=O
Show InChI InChI=1S/C20H23BCl2N2O9/c1-10(2)5-14(21-33-17(29)8-20(34-21,19(31)32)7-16(27)28)25-15(26)9-24-18(30)12-6-11(22)3-4-13(12)23/h3-4,6,10,14H,5,7-9H2,1-2H3,(H,24,30)(H,25,26)(H,27,28)(H,31,32)/t14-,20?/m0/s1
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n/an/an/a 7.30E+3n/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) by ITC analysis


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50069989
PNG
((R)-3-methyl-1-((S)-3-phenyl-2-(pyrazine-2-carboxa...)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O
Show InChI InChI=1S/C19H25BN4O4/c1-13(2)10-17(20(27)28)24-18(25)15(11-14-6-4-3-5-7-14)23-19(26)16-12-21-8-9-22-16/h3-9,12-13,15,17,27-28H,10-11H2,1-2H3,(H,23,26)(H,24,25)/t15-,17-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) pre-incubated for 10 mins be...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50398609
PNG
(CHEMBL2141296 | IXAZOMIB CITRATE | Ixazomib | MLN2...)
Show SMILES CC(C)C[C@H](NC(=O)CNC(=O)c1cc(Cl)ccc1Cl)B(O)O
Show InChI InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1
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n/an/a 5.30E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) pre-incubated for 10 mins be...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50527103
PNG
(CHEMBL4449233)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)CCl
Show InChI InChI=1S/C24H29ClN2O5/c1-16(2)12-21(27-24(31)32-15-18-6-4-3-5-7-18)23(30)26-20(22(29)14-25)13-17-8-10-19(28)11-9-17/h3-11,16,20-21,28H,12-15H2,1-2H3,(H,26,30)(H,27,31)/t20-,21-/m0/s1
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n/an/a 1.44E+4n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli ClpP


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Staphylococcus aureus (strain NCTC 8325))
BDBM50527101
PNG
(CHEMBL4540126)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)c1ccc(CC(C)C)cc1)B(O)O
Show InChI InChI=1S/C29H40BN3O4/c1-18(2)14-21-10-12-22(13-11-21)20(5)28(34)32-26(29(35)33-27(30(36)37)15-19(3)4)16-23-17-31-25-9-7-6-8-24(23)25/h6-13,17-20,26-27,31,36-37H,14-16H2,1-5H3,(H,32,34)(H,33,35)/t20?,26-,27-/m0/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sichuan University

Curated by ChEMBL


Assay Description
Inhibition of N-terminal His6-sumo-tagged full length Staphylococcus aureus ClpP expressed in Escherichia coli BL2 (DE3) pre-incubated for 10 mins be...


J Med Chem 63: 3104-3119 (2020)


Article DOI: 10.1021/acs.jmedchem.9b01746
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518615
PNG
(CHEMBL4551942)
Show SMILES Nc1cccc(c1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C27H25N2O5P/c28-23-14-10-13-22(19-23)26(29-27(30)32-20-21-11-4-1-5-12-21)35(31,33-24-15-6-2-7-16-24)34-25-17-8-3-9-18-25/h1-19,26H,20,28H2,(H,29,30)
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n/an/a 500n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518614
PNG
(CHEMBL4476496)
Show SMILES NC(=N)c1ccc2cc(ccc2c1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C32H28N3O5P/c33-30(34)26-18-16-25-21-27(19-17-24(25)20-26)31(35-32(36)38-22-23-10-4-1-5-11-23)41(37,39-28-12-6-2-7-13-28)40-29-14-8-3-9-15-29/h1-21,31H,22H2,(H3,33,34)(H,35,36)
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n/an/a 7.97E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518613
PNG
(CHEMBL4448860)
Show SMILES NC(=N)Nc1cccc(c1)C(NC(=O)OCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1
Show InChI InChI=1S/C28H27N4O5P/c29-27(30)31-23-14-10-13-22(19-23)26(32-28(33)35-20-21-11-4-1-5-12-21)38(34,36-24-15-6-2-7-16-24)37-25-17-8-3-9-18-25/h1-19,26H,20H2,(H,32,33)(H4,29,30,31)
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n/an/a 500n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518612
PNG
(CHEMBL4444802)
Show SMILES O=C(NC(c1ccc(cc1)N1CCNCC1)P(=O)(Oc1ccccc1)Oc1ccccc1)OCc1ccccc1
Show InChI InChI=1S/C31H32N3O5P/c35-31(37-24-25-10-4-1-5-11-25)33-30(26-16-18-27(19-17-26)34-22-20-32-21-23-34)40(36,38-28-12-6-2-7-13-28)39-29-14-8-3-9-15-29/h1-19,30,32H,20-24H2,(H,33,35)
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n/an/a 600n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50518611
PNG
(CHEMBL4461379)
Show SMILES CC(C)C[C@H](NC(=O)OCc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl
Show InChI InChI=1S/C24H29ClN2O5/c1-16(2)12-21(27-24(31)32-15-18-8-10-19(28)11-9-18)23(30)26-20(22(29)14-25)13-17-6-4-3-5-7-17/h3-11,16,20-21,28H,12-15H2,1-2H3,(H,26,30)(H,27,31)/t20-,21-/m0/s1
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n/an/a 1.44E+4n/an/an/an/an/an/a



University of Antwerp

Curated by ChEMBL


Assay Description
Inhibition of Escherichia coli C-terminal His6-tagged ClpP expressed Escherichia coli SG1146a using Suc-LY-AMC as substrate preincubated for 10 mins ...


J Med Chem 62: 774-797 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01466
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit, mitochondrial


(Homo sapiens)
BDBM50502328
PNG
(CHEMBL4472444)
Show SMILES O=C(Cc1coc2ccc3ccccc3c12)Oc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C22H14N2O4/c25-20(28-17-8-5-15(6-9-17)22-24-23-13-27-22)11-16-12-26-19-10-7-14-3-1-2-4-18(14)21(16)19/h1-10,12-13H,11H2
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n/an/a 1.54E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of C-terminal recombinant human ClpP (57 to 277 amino acids) expressed in Escherichia coli Rosetta2 cells using Suc-Leu-Tyr-AMC as substra...


J Med Chem 62: 6377-6390 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00878
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit, mitochondrial


(Homo sapiens)
BDBM50502336
PNG
(CHEMBL4440056)
Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)c1ccc(F)c(c1)[N+]([O-])=O)B(O)O
Show InChI InChI=1S/C18H27BFN3O6/c1-10(2)7-14(18(25)22-16(19(26)27)8-11(3)4)21-17(24)12-5-6-13(20)15(9-12)23(28)29/h5-6,9-11,14,16,26-27H,7-8H2,1-4H3,(H,21,24)(H,22,25)
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n/an/a 2.89E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ClpP expressed in Escherichia coli SG1146 cells using N-acetyl-Trp-Leu-Ala-AMC as substrate incubated for 1 hr and measured at 20...


J Med Chem 62: 6377-6390 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00878
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit, mitochondrial


(Homo sapiens)
BDBM50502335
PNG
(CHEMBL4566080)
Show SMILES COc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)B(O)O)c(Cl)c1
Show InChI InChI=1S/C19H30BClN2O5/c1-11(2)8-16(19(25)23-17(20(26)27)9-12(3)4)22-18(24)14-7-6-13(28-5)10-15(14)21/h6-7,10-12,16-17,26-27H,8-9H2,1-5H3,(H,22,24)(H,23,25)/t16-,17-/m0/s1
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n/an/a 1.02E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ClpP expressed in Escherichia coli SG1146 cells using N-acetyl-Trp-Leu-Ala-AMC as substrate incubated for 1 hr and measured at 20...


J Med Chem 62: 6377-6390 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00878
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit, mitochondrial


(Homo sapiens)
BDBM50502334
PNG
(CHEMBL4459457)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)c1ccccc1-c1ccccc1)B(O)O
Show InChI InChI=1S/C24H33BN2O4/c1-16(2)14-21(24(29)27-22(25(30)31)15-17(3)4)26-23(28)20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-13,16-17,21-22,30-31H,14-15H2,1-4H3,(H,26,28)(H,27,29)/t21-,22-/m0/s1
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n/an/a 8.40E+3n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ClpP expressed in Escherichia coli SG1146 cells using N-acetyl-Trp-Leu-Ala-AMC as substrate incubated for 1 hr and measured at 20...


J Med Chem 62: 6377-6390 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00878
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit, mitochondrial


(Homo sapiens)
BDBM50502333
PNG
(CHEMBL4466041)
Show SMILES O=C(Cc1c(oc2ccc3ccccc3c12)C#C)Oc1ccc(cc1)-c1nnco1
Show InChI InChI=1S/C24H14N2O4/c1-2-20-19(23-18-6-4-3-5-15(18)9-12-21(23)30-20)13-22(27)29-17-10-7-16(8-11-17)24-26-25-14-28-24/h1,3-12,14H,13H2
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n/an/a 390n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of C-terminal recombinant human ClpP expressed in Escherichia coli Rosetta2 (DE3) cells using Suc-Leu-Tyr-AMC as substrate incubated for 1...


J Med Chem 62: 6377-6390 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00878
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit, mitochondrial


(Homo sapiens)
BDBM50502332
PNG
(CHEMBL4563482)
Show SMILES COc1ccc(C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)B(O)O)c(Cl)c1
Show InChI InChI=1S/C19H30BClN2O5/c1-11(2)8-16(19(25)23-17(20(26)27)9-12(3)4)22-18(24)14-7-6-13(28-5)10-15(14)21/h6-7,10-12,16-17,26-27H,8-9H2,1-5H3,(H,22,24)(H,23,25)
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n/an/a 4.19E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ClpP expressed in Escherichia coli SG1146 cells using N-acetyl-Trp-Leu-Ala-AMC as substrate incubated for 1 hr and measured at 20...


J Med Chem 62: 6377-6390 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00878
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit, mitochondrial


(Homo sapiens)
BDBM50502331
PNG
(CHEMBL4453096)
Show SMILES CC(C)CC(NC(=O)C(CC(C)C)NC(=O)c1ccccc1-c1ccccc1)B(O)O
Show InChI InChI=1S/C24H33BN2O4/c1-16(2)14-21(24(29)27-22(25(30)31)15-17(3)4)26-23(28)20-13-9-8-12-19(20)18-10-6-5-7-11-18/h5-13,16-17,21-22,30-31H,14-15H2,1-4H3,(H,26,28)(H,27,29)
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n/an/a 1.84E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ClpP expressed in Escherichia coli SG1146 cells using N-acetyl-Trp-Leu-Ala-AMC as substrate incubated for 1 hr and measured at 20...


J Med Chem 62: 6377-6390 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00878
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit, mitochondrial


(Homo sapiens)
BDBM50502330
PNG
(CHEMBL4459890)
Show SMILES COc1ccc(O)c(c1)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)B(O)O
Show InChI InChI=1S/C19H31BN2O6/c1-11(2)8-15(19(25)22-17(20(26)27)9-12(3)4)21-18(24)14-10-13(28-5)6-7-16(14)23/h6-7,10-12,15,17,23,26-27H,8-9H2,1-5H3,(H,21,24)(H,22,25)
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n/an/a 3.43E+4n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ClpP expressed in Escherichia coli SG1146 cells using N-acetyl-Trp-Leu-Ala-AMC as substrate incubated for 1 hr and measured at 20...


J Med Chem 62: 6377-6390 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00878
More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit, mitochondrial


(Homo sapiens)
BDBM50502329
PNG
(CHEMBL4451932)
Show SMILES COc1ccc(C(=O)NC(CC(C)C)C(=O)NC(Cc2ccccc2)B(O)O)c(Cl)c1
Show InChI InChI=1S/C22H28BClN2O5/c1-14(2)11-19(25-21(27)17-10-9-16(31-3)13-18(17)24)22(28)26-20(23(29)30)12-15-7-5-4-6-8-15/h4-10,13-14,19-20,29-30H,11-12H2,1-3H3,(H,25,27)(H,26,28)
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n/an/a 1.18E+5n/an/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Inhibition of human ClpP expressed in Escherichia coli SG1146 cells using N-acetyl-Trp-Leu-Ala-AMC as substrate incubated for 1 hr and measured at 20...


J Med Chem 62: 6377-6390 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00878
More data for this
Ligand-Target Pair
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