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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein 2x' and Ligand = 'BDBM50483324'   
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
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50483324
PNG
(CHEBI:51257 | Faropenem)
Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3|
Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
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MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 59.6n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3676 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/AAC.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50483324
PNG
(CHEBI:51257 | Faropenem)
Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3|
Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 115n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 2527 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/AAC.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50483324
PNG
(CHEBI:51257 | Faropenem)
Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3|
Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 136n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3243 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/AAC.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50483324
PNG
(CHEBI:51257 | Faropenem)
Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3|
Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 213n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3009 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/AAC.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50483324
PNG
(CHEBI:51257 | Faropenem)
Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3|
Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 220n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1076 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/AAC.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50483324
PNG
(CHEBI:51257 | Faropenem)
Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3|
Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 606n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3665 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/AAC.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50483324
PNG
(CHEBI:51257 | Faropenem)
Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3|
Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 686n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 1077 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/AAC.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50483324
PNG
(CHEBI:51257 | Faropenem)
Show SMILES [H][C@]12SC(=C(N1C(=O)[C@]2([H])[C@@H](C)O)C(O)=O)[C@@]1([H])CCCO1 |c:3|
Show InChI InChI=1S/C12H15NO5S/c1-5(14)7-10(15)13-8(12(16)17)9(19-11(7)13)6-3-2-4-18-6/h5-7,11,14H,2-4H2,1H3,(H,16,17)/t5-,6-,7+,11-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
Purchase

MCE
PC cid
PC sid
PDB
UniChem
Article
PubMed
n/an/a 1.52E+3n/an/an/an/an/an/a



Hershey Medical Center

Curated by ChEMBL


Assay Description
Displacement of Biocillin FL from Streptococcus pneumoniae 3413 PBP2X


Antimicrob Agents Chemother 53: 2176-80 (2009)


Article DOI: 10.1128/AAC.01566-08
BindingDB Entry DOI: 10.7270/Q24B345B
More data for this
Ligand-Target Pair