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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Penicillin binding protein 3 (PBP3)'   
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
Penicillin binding protein 3 (PBP3)


(Pseudomonas aeruginosa)
BDBM50240426
PNG
((2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazi...)
Show SMILES CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C(O)=O)c2ccccc2)C(=O)C1=O
Show InChI InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

CHEMBL
DrugBank
KEGG
MMDB
PC cid
PC sid
PDB
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 166n/an/an/an/an/an/a



University of Oxford



Assay Description
An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin binding protein 3 (PBP3)


(Pseudomonas aeruginosa)
BDBM104100
PNG
((5S)-PA | (5S)-Penicilloic acid)
Show SMILES CCN1CCN(C(=O)N[C@H](C2CC=CC=C2)C(=O)N[C@@H]([C@H]2N[C@@H](C(O)=O)C(C)(C)S2)C(O)=O)C(=O)C1=O
Show InChI InChI=1S/C23H31N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-8,12-15,17,26H,4,9-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t12?,13-,14+,15+,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.26E+5n/an/an/an/an/an/a



University of Oxford



Assay Description
An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ...


Citation and Details
More data for this
Ligand-Target Pair
Penicillin binding protein 3 (PBP3)


(Pseudomonas aeruginosa)
BDBM104099
PNG
((5R)-PA | (5R)-Penicilloic acid)
Show SMILES CCN1CCN(C(=O)N[C@H](C2CC=CC=C2)C(=O)N[C@@H]([C@@H]2N[C@@H](C(O)=O)C(C)(C)S2)C(O)=O)C(=O)C1=O
Show InChI InChI=1S/C23H31N5O8S/c1-4-27-10-11-28(19(31)18(27)30)22(36)25-13(12-8-6-5-7-9-12)16(29)24-14(20(32)33)17-26-15(21(34)35)23(2,3)37-17/h5-8,12-15,17,26H,4,9-11H2,1-3H3,(H,24,29)(H,25,36)(H,32,33)(H,34,35)/t12?,13-,14+,15+,17-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

AffyNet 
Article
PubMed
n/an/a 1.96E+5n/an/an/an/an/an/a



University of Oxford



Assay Description
An appropriate amount of enzyme (4uM) was pre-incubated with the (5R)- or 5(S)-penicilloic acid in the assay buffer (50mM HEPES-NaOH buffer (pH 7.2) ...


Citation and Details
More data for this
Ligand-Target Pair