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Compile Data Set for Download or QSAR

Found 3 hits of ec50 data for polymerid = 50004891,50006712   
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
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
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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
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))
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