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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'ATP-dependent Clp protease proteolytic subunit' AND taxid = 83333   
Target
(Institution)
LigandTarget
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))
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=1/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-/s2
PDB

KEGG

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair
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=1/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+/s2
PDB

KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

AffyNet 
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


Citation and Details
More data for this
Ligand-Target Pair