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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Peptidase' and Ligand = 'BDBM50569545'   
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
Peptidase


(Staphylococcus aureus)
BDBM50569545
PNG
(CHEMBL4871381)
Show SMILES COc1ccc(NC(=O)[C@H]2Oc3c([C@@H]2c2ccc(CCCN4CCCC4=O)cc2)c(=O)oc2ccccc32)cc1 |r|
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 8.66E+4n/an/an/an/an/a


TBA

Assay Description
Binding affinity to Staphylococcus aureus PBP2a assessed as equilibrium dissociation constant by SPR assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128001
BindingDB Entry DOI: 10.7270/Q2GT5RZS
More data for this
Ligand-Target Pair
Peptidase


(Staphylococcus aureus)
BDBM50569545
PNG
(CHEMBL4871381)
Show SMILES COc1ccc(NC(=O)[C@H]2Oc3c([C@@H]2c2ccc(CCCN4CCCC4=O)cc2)c(=O)oc2ccccc32)cc1 |r|
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/an/a 0.0284n/an/an/a


TBA

Assay Description
Binding affinity to Staphylococcus aureus PBP2a assessed as dissociation constant by SPR assay


Citation and Details

Article DOI: 10.1016/j.bmcl.2021.128001
BindingDB Entry DOI: 10.7270/Q2GT5RZS
More data for this
Ligand-Target Pair