BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 5 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50028480
PNG
(CHEMBL3342324)
Show SMILES C\C=C\C=C\C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2C[C@@H](C)CN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C38H50N6O8/c1-6-7-8-9-13-18-32(45)40-28(21-27-15-11-10-12-16-27)34(47)41-29-23-52-38(51)31-20-24(2)22-44(31)35(48)25(3)39-33(46)26(4)42(5)37(50)30-17-14-19-43(30)36(29)49/h6-13,15-16,18,24-26,28-31H,14,17,19-23H2,1-5H3,(H,39,46)(H,40,45)(H,41,47)/b7-6+,9-8+,18-13+/t24-,25+,26+,28+,29+,30+,31+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 300n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activation of Escherichia coli ClpP by ITC method


J Nat Prod 77: 2170-81 (2014)

More data for this
Ligand-Target Pair
ATP-dependent Clp protease proteolytic subunit


(Escherichia coli (strain K12))
BDBM50028481
PNG
(CHEMBL3342325)
Show SMILES C\C=C\C=C\C=C\C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1COC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](C)N(C)C(=O)[C@@H]2CCCN2C1=O
Show InChI InChI=1S/C37H48N6O8/c1-5-6-7-8-12-19-31(44)39-27(22-26-15-10-9-11-16-26)33(46)40-28-23-51-37(50)30-18-14-21-43(30)34(47)24(2)38-32(45)25(3)41(4)36(49)29-17-13-20-42(29)35(28)48/h5-12,15-16,19,24-25,27-30H,13-14,17-18,20-23H2,1-4H3,(H,38,45)(H,39,44)(H,40,46)/b6-5+,8-7+,19-12+/t24-,25-,27-,28-,29-,30-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 700n/an/an/an/an/a



University of Toronto

Curated by ChEMBL


Assay Description
Activation of Escherichia coli ClpP by ITC method


J Nat Prod 77: 2170-81 (2014)

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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)

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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
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)

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
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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)

More data for this
Ligand-Target Pair