BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 142 hits Enz. Inhib. hit(s) with Target = 'Penicillin-binding protein'   
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
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50217404
PNG
(CHEMBL348278)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C(=O)c4cccc5cccc(C3=O)c45)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50217406
PNG
(CHEMBL351921)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C(=O)c4c(ccc5ccccc45)S3(=O)=O)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 1.60n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50217407
PNG
(CHEMBL161482)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3C(=O)c4cccc5cccc(c45)S3(=O)=O)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50217403
PNG
(CHEMBL161759)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3c4cccc5cccc(N(C)S3(=O)=O)c45)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 7.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50217402
PNG
(CHEMBL157932)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3Cc4c(ccc5ccccc45)S3(=O)=O)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 18n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50217405
PNG
(CHEMBL159153)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(CN3Cc4cccc5cccc(c45)S3(=O)=O)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 22n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012177
PNG
(CHEMBL3265226)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](N2C(=O)c3cc(O)c(O)cc3C2=O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C25H22N6O14S/c1-24(2,21(39)40)45-29-15(11-7-46-23(26)28-11)16(34)27-10-6-43-31(19(10)37)25(22(41)42)5-12(20(38)44-25)30-17(35)8-3-13(32)14(33)4-9(8)18(30)36/h3-4,7,10,12,32-33H,5-6H2,1-2H3,(H2,26,28)(H,27,34)(H,39,40)(H,41,42)/b29-15-/t10-,12-,25?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


J Med Chem 57: 3845-55 (2014)

More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012180
PNG
(CHEMBL3265224)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@@H](NC(=O)c2cc(=O)c(O)cn2O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C23H23N7O14S/c1-22(2,19(37)38)44-28-14(10-7-45-21(24)27-10)16(34)26-9-6-42-30(17(9)35)23(20(39)40)4-8(18(36)43-23)25-15(33)11-3-12(31)13(32)5-29(11)41/h3,5,7-9,32,41H,4,6H2,1-2H3,(H2,24,27)(H,25,33)(H,26,34)(H,37,38)(H,39,40)/b28-14-/t8-,9+,23?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


J Med Chem 57: 3845-55 (2014)

More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012181
PNG
(CHEMBL3265225)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](NC(=O)c2cc(=O)c(O)cn2O)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C23H23N7O14S/c1-22(2,19(37)38)44-28-14(10-7-45-21(24)27-10)16(34)26-9-6-42-30(17(9)35)23(20(39)40)4-8(18(36)43-23)25-15(33)11-3-12(31)13(32)5-29(11)41/h3,5,7-9,32,41H,4,6H2,1-2H3,(H2,24,27)(H,25,33)(H,26,34)(H,37,38)(H,39,40)/b28-14-/t8-,9-,23?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


J Med Chem 57: 3845-55 (2014)

More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012178
PNG
(CHEMBL3265220)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(CCC(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C17H19N5O10S/c1-16(2,13(26)27)32-21-10(8-6-33-15(18)20-8)11(24)19-7-5-30-22(12(7)25)17(14(28)29)4-3-9(23)31-17/h6-7H,3-5H2,1-2H3,(H2,18,20)(H,19,24)(H,26,27)(H,28,29)/b21-10-/t7-,17?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


J Med Chem 57: 3845-55 (2014)

More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012179
PNG
(CHEMBL3265221)
Show SMILES Nc1nc(cs1)C(=N\OCc1cc(=O)c(O)cn1O)\C(=O)N[C@H]1CON(C1=O)C1(CCC(=O)O1)C(O)=O
Show InChI InChI=1S/C19H18N6O11S/c20-18-22-10(7-37-18)14(23-34-5-8-3-11(26)12(27)4-24(8)33)15(29)21-9-6-35-25(16(9)30)19(17(31)32)2-1-13(28)36-19/h3-4,7,9,27,33H,1-2,5-6H2,(H2,20,22)(H,21,29)(H,31,32)/b23-14-/t9-,19?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


J Med Chem 57: 3845-55 (2014)

More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012182
PNG
(CHEMBL3265223)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@H](NC(=O)OCc2ccccc2)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C25H26N6O12S/c1-24(2,20(35)36)43-30-16(15-11-44-22(26)28-15)17(32)27-14-10-41-31(18(14)33)25(21(37)38)8-13(19(34)42-25)29-23(39)40-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,26,28)(H,27,32)(H,29,39)(H,35,36)(H,37,38)/b30-16-/t13-,14-,25?/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 65n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


J Med Chem 57: 3845-55 (2014)

More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50012183
PNG
(CHEMBL3265222)
Show SMILES CC(C)(O\N=C(/C(=O)N[C@H]1CON(C1=O)C1(C[C@@H](NC(=O)OCc2ccccc2)C(=O)O1)C(O)=O)c1csc(N)n1)C(O)=O
Show InChI InChI=1S/C25H26N6O12S/c1-24(2,20(35)36)43-30-16(15-11-44-22(26)28-15)17(32)27-14-10-41-31(18(14)33)25(21(37)38)8-13(19(34)42-25)29-23(39)40-9-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3,(H2,26,28)(H,27,32)(H,29,39)(H,35,36)(H,37,38)/b30-16-/t13-,14+,25?/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


J Med Chem 57: 3845-55 (2014)

More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213266
PNG
(CHEBI:471744 | IMIPENEM | Imipenem | MK-0787)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(SCCNC=N)=C(N2C1=O)C(O)=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 188n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213270
PNG
(CHEMBL33235)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(Sc3nc4c(C[n+]5ccn(C)c5)csc4s3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 649n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213260
PNG
(CHEMBL34381)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(Sc3nc4cc(C[n+]5ccn(C)c5)ccc4s3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 876n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213261
PNG
(CHEMBL430547)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc4ccc(cc4s3)[N+]([O-])=O)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 1.35E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50378857
PNG
(CEFTOBIPROLE | Zeftera | Zevtera)
Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.90E+3n/an/an/an/a7.4n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus ATCC 433000 PBP2a by western blotting at pH 7.4 in presence of 100 uM Bocillin FL


Antimicrob Agents Chemother 53: 2289-97 (2009)

More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213265
PNG
(CHEMBL287296)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc4cc(ccc4s3)C(F)(F)F)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 1.93E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213222
PNG
(CHEMBL33794)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc4ccc(Cl)cc4s3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.08E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213262
PNG
(CHEMBL286644)
Show SMILES [Na+].COC(=O)c1csc2sc(SC3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C([O-])=O)nc12
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.59E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213269
PNG
(CHEMBL430721)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc4c(CO)csc4s3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.76E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213220
PNG
(CHEMBL30322)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc4cc(CO)ccc4s3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.80E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50378857
PNG
(CEFTOBIPROLE | Zeftera | Zevtera)
Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



The Rockefeller University

Curated by ChEMBL


Assay Description
Inhibition of methicillin-resistant Staphylococcus aureus COL PBP2a by competitive assay


Antimicrob Agents Chemother 52: 2709-17 (2008)

More data for this
Ligand-Target Pair
Penicillin-binding protein 1A


(Pseudomonas aeruginosa PAO1)
BDBM50240480
PNG
((2S,3S)-3-({(2Z)-2-(2-ammonio-1,3-thiazol-4-yl)-2-...)
Show SMILES C[C@H]1[C@H](NC(=O)C(=N/OC(C)(C)C(O)=O)\c2csc(N)n2)C(=O)N1S(O)(=O)=O
Show InChI InChI=1S/C13H17N5O8S2/c1-5-7(10(20)18(5)28(23,24)25)16-9(19)8(6-4-27-12(14)15-6)17-26-13(2,3)11(21)22/h4-5,7H,1-3H3,(H2,14,15)(H,16,19)(H,21,22)(H,23,24,25)/b17-8-/t5-,7-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.34E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of fluorescent Bocillin FL from N-terminal His tagged Pseudomonas aeruginosa PAO1 PBP1a (residues 36 to 822) expressed in Escherichia co...


J Med Chem 57: 3845-55 (2014)

More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213259
PNG
(CHEMBL30991)
Show SMILES [Na+].COC(=O)c1cc2sc(SC3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C([O-])=O)nc2o1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 3.36E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213268
PNG
(CHEMBL410910)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc4ccc(cc4s3)C#N)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.78E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213264
PNG
(CHEMBL287558)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2CC(Sc3nc4cc(Cl)ccc4s3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 3.82E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.90E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5.00E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213254
PNG
(CHEMBL287661)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc4ccccc4s3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 5.02E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213267
PNG
(CHEMBL282600)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc4cc(Cl)ccc4s3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 6.24E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Penicillin binding protein 2'


(Staphylococcus aureus)
BDBM50378857
PNG
(CEFTOBIPROLE | Zeftera | Zevtera)
Show SMILES Nc1nc(ns1)C(N=O)C(=O)N[C@H]1[C@H]2SCC(C=C3CCN([C@@H]4CCNC4)C3=O)=C(N2C1=O)C(O)=O
Show InChI InChI=1S/C20H22N8O6S2/c21-20-24-14(26-36-20)11(25-34)15(29)23-12-17(31)28-13(19(32)33)9(7-35-18(12)28)5-8-2-4-27(16(8)30)10-1-3-22-6-10/h5,10-12,18,22H,1-4,6-7H2,(H,23,29)(H,32,33)(H2,21,24,26)/t10-,11?,12-,18-/m1/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.40E+3n/an/an/an/a5.5n/a



Universit£ Catholique de Louvain

Curated by ChEMBL


Assay Description
Binding affinity to Staphylococcus aureus ATCC 433000 PBP2a by western blotting at pH 5.5 in presence of 100 uM Bocillin FL


Antimicrob Agents Chemother 53: 2289-97 (2009)

More data for this
Ligand-Target Pair
Penicillin-binding protein 2x


(Streptococcus pneumoniae)
BDBM50324696
PNG
(CHEMBL1221990 | Phenoxyacetyl lactivicin)
Show SMILES OC(=O)[C@@]1(CCC(=O)O1)N1OC[C@H](NC(=O)COc2ccccc2)C1=O
Show InChI InChI=1S/C16H16N2O8/c19-12(9-24-10-4-2-1-3-5-10)17-11-8-25-18(14(11)21)16(15(22)23)7-6-13(20)26-16/h1-5,11H,6-9H2,(H,17,19)(H,22,23)/t11-,16-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90E+3n/an/an/an/an/an/a



Universit£ Joseph Fourier

Curated by ChEMBL


Assay Description
Inhibition of penicillin-resistant Streptococcus pneumoniae 5204 PBP2x after 60 mins by SDS-PAGE


Nat Chem Biol 3: 565-9 (2007)

More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213219
PNG
(CHEMBL33583)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2CC(Sc3nc4ccccc4s3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 8.06E+3n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.10E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 604 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 8.20E+3n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 503 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213263
PNG
(CHEMBL284058)
Show SMILES [Na+].CCOc1ccc2nc(SC3=C(N4[C@@H]([C@@H]([C@@H](C)O)C4=O)[C@H]3C)C([O-])=O)sc2c1
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

n/an/a 1.06E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Escherichia coli.


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.41E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 604 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053179
PNG
(CHEMBL121924 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2ccccn2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C14H14N2O5S/c1-14(6-5-9-4-2-3-7-15-9)12(13(18)19)16-10(17)8-11(16)22(14,20)21/h2-7,11-12H,8H2,1H3,(H,18,19)/p-1/b6-5-/t11-,12+,14+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053183
PNG
(CHEMBL123481 | Trifluoro-methanesulfonate1-[(E)-3-...)
Show SMILES C[C@]1(\C=C\C[n+]2ccccc2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C15H16N2O5S/c1-15(6-5-9-16-7-3-2-4-8-16)13(14(19)20)17-11(18)10-12(17)23(15,21)22/h2-8,12-13H,9-10H2,1H3/p+1/b6-5+/t12-,13+,15+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.50E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 4 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50076680
PNG
(CHEMBL6461 | Ro-48-1220 | Sodium; (2S,3R,5R)-3-((Z...)
Show SMILES C[C@]1(\C=C\C#N)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C10H10N2O5S/c1-10(3-2-4-11)8(9(14)15)12-6(13)5-7(12)18(10,16)17/h2-3,7-8H,5H2,1H3,(H,14,15)/p-1/b3-2+/t7-,8+,10+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.70E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 2 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053180
PNG
(CHEMBL332565 | Sodium; (2S,3S,5R)-3-methyl-4,4,7-t...)
Show SMILES C[C@]1(\C=C/c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C([O-])=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/p-1/b3-2-/t9-,10+,12+/m1/s1
PDB
MMDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.20E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of 503 Cephalosporin resistant mutants of Penicillin-binding protein 2 from Streptococcus pneumoniae


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
MecA PBP2' (penicillin binding protein 2')


(Staphylococcus aureus)
BDBM50213218
PNG
(CHEMBL283624)
Show SMILES [Na+].C[C@@H](O)[C@@H]1[C@H]2[C@@H](C)C(Sc3nc(cs3)-c3ccccc3)=C(N2C1=O)C([O-])=O
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
n/an/a 2.36E+4n/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Penicillin-binding protein


(Staphylococcus aureus)
BDBM50053175
PNG
((2S,3S,5R)-3-Methyl-4,4,7-trioxo-3-((E)-2-thiazol-...)
Show SMILES C[C@]1(\C=C\c2cncs2)[C@@H](N2[C@@H](CC2=O)S1(=O)=O)C(O)=O
Show InChI InChI=1S/C12H12N2O5S2/c1-12(3-2-7-5-13-6-20-7)10(11(16)17)14-8(15)4-9(14)21(12,18)19/h2-3,5-6,9-10H,4H2,1H3,(H,16,17)/b3-2+/t9-,10+,12+/m1/s1
PDB

KEGG

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.80E+4n/an/an/an/an/an/a



F. Hoffmann-LaRoche Ltd

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of Penicillin-binding protein 3 from Staphylococcus aureus (Schoch).


J Med Chem 39: 3712-22 (1996)

More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 142 total )  |  Next  |  Last  >>
Jump to: