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Compile Data Set for Download or QSAR

Found 6 hits of Enz. Inhib. data with enzyme = 'Beta-lactamase' and Substrate = 'BDBM92465'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Beta-lactamase


(Acinetobacter baumannii)
BDBM92463
PNG
(Imipenem)
Show SMILES C[C@@H](O)[C@@H]1[C@H]2CC(SCCN=CN)[C@@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C12H19N3O4S/c1-6(16)9-7-4-8(20-3-2-14-5-13)10(12(18)19)15(7)11(9)17/h5-10,16H,2-4H2,1H3,(H2,13,14)(H,18,19)/t6-,7-,8?,9-,10-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

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



York University



Assay Description
Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.


J Biol Chem 286: 37292-303 (2011)


Article DOI: 10.1074/jbc.M111.280115
BindingDB Entry DOI: 10.7270/Q2QV3K38
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM50140672
PNG
((2S,5R,6R)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-th...)
Show SMILES CC1(C)S[C@@H]2[C@H](CO)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5+,7-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3.00E+4n/an/an/an/an/an/an/an/a



York University



Assay Description
Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.


J Biol Chem 286: 37292-303 (2011)


Article DOI: 10.1074/jbc.M111.280115
BindingDB Entry DOI: 10.7270/Q2QV3K38
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM92461
PNG
(Beta-lactam compound, 4)
Show SMILES CCCCCCC[C@@H](O)[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C16H27NO4S/c1-4-5-6-7-8-9-10(18)11-13(19)17-12(15(20)21)16(2,3)22-14(11)17/h10-12,14,18H,4-9H2,1-3H3,(H,20,21)/t10-,11-,12+,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.20E+4n/an/an/an/an/an/an/an/a



York University



Assay Description
Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.


J Biol Chem 286: 37292-303 (2011)


Article DOI: 10.1074/jbc.M111.280115
BindingDB Entry DOI: 10.7270/Q2QV3K38
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM92464
PNG
(Carbenicillin)
Show SMILES CC1(C)S[C@@H]2[C@H](NC(=O)[C@@H](C(O)=O)c3ccccc3)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C17H18N2O6S/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25)/t9-,10+,11-,14+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
Purchase

PC cid
PC sid
UniChem

Similars

Article
PubMed
7.80E+4n/an/an/an/an/an/an/an/a



York University



Assay Description
Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.


J Biol Chem 286: 37292-303 (2011)


Article DOI: 10.1074/jbc.M111.280115
BindingDB Entry DOI: 10.7270/Q2QV3K38
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM50140671
PNG
((2S,5R,6S)-6-Hydroxymethyl-3,3-dimethyl-7-oxo-4-th...)
Show SMILES CC1(C)S[C@@H]2[C@@H](CO)C(=O)N2[C@H]1C(O)=O
Show InChI InChI=1S/C9H13NO4S/c1-9(2)5(8(13)14)10-6(12)4(3-11)7(10)15-9/h4-5,7,11H,3H2,1-2H3,(H,13,14)/t4-,5-,7+/m0/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.30E+4n/an/an/an/an/an/an/an/a



York University



Assay Description
Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.


J Biol Chem 286: 37292-303 (2011)


Article DOI: 10.1074/jbc.M111.280115
BindingDB Entry DOI: 10.7270/Q2QV3K38
More data for this
Ligand-Target Pair
Beta-lactamase


(Acinetobacter baumannii)
BDBM92462
PNG
(Beta-lactam compound, 3)
Show SMILES CCCCCCC[C@@H](O)[C@@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O
Show InChI InChI=1S/C16H27NO4S/c1-4-5-6-7-8-9-10(18)11-13(19)17-12(15(20)21)16(2,3)22-14(11)17/h10-12,14,18H,4-9H2,1-3H3,(H,20,21)/t10-,11+,12+,14-/m1/s1
PDB
MMDB

KEGG

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.04E+5n/an/an/an/an/an/an/an/a



York University



Assay Description
Beta-lactam compounds were assessed as competitive inhibitors using nitrocefin as a reporter substrate.


J Biol Chem 286: 37292-303 (2011)


Article DOI: 10.1074/jbc.M111.280115
BindingDB Entry DOI: 10.7270/Q2QV3K38
More data for this
Ligand-Target Pair